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4-octadecylphenol

4-octadecylphenol

CAS: 2589-79-9

Formula: C24H42O

SMILES: CCCCCCCCCCCCCCCCCCC1=CC=C(O)C=C1

IUPAC: 4-octadecylphenol

InChI: InChI=1S/C24H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24(25)22-20-23/h19-22,25H,2-18H2,1H3

Composition: C (83.17%), H (12.21%), O (4.62%)

Molar Mass: 346.599

Atom Count: 67

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 346.323565972
Formal Charge 0
FSP3 0.75
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey QIZUBPHXHVWGHD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 111.3
Topological Polar Surface Area 20.23
Polarizability 44.1
Ring Count 1
Rotatable Bond Count 17

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