3-methyl-3-phenylpentane-1,5-diol

3-methyl-3-phenylpentane-1,5-diol

CAS: 84100-46-9

Formula: C12H18O2

SMILES: CC(CCO)(CCO)C1=CC=CC=C1

IUPAC: 3-methyl-3-phenylpentane-1,5-diol

InChI: InChI=1S/C12H18O2/c1-12(7-9-13,8-10-14)11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3

Composition: C (74.19%), H (9.34%), O (16.47%)

Molar Mass: 194.274

Atom Count: 32

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	194.13067982
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	QIGUSNIFPVCARD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.78
Topological Polar Surface Area	40.46
Polarizability	22.54
Ring Count	1
Rotatable Bond Count	5

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