2-(cyclohexylmethyl)-4-methyl-4-phenylpentane-1,2-diol

C19H30O2 — CID 69420884

IUPAC2-(cyclohexylmethyl)-4-methyl-4-phenylpentane-1,2-diol
SMILESCC(C)(CC(O)(CO)CC1CCCCC1)c1ccccc1
InChIInChI=1S/C19H30O2/c1-18(2,17-11-7-4-8-12-17)14-19(21,15-20)13-16-9-5-3-6-10-16/h4,7-8,11-12,16,20-21H,3,5-6,9-10,13-15H2,1-2H3
InChIKeyCJFUUTLEFLJKKY-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.05
Rot. Bonds6

About 2-(cyclohexylmethyl)-4-methyl-4-phenylpentane-1,2-diol

2-(cyclohexylmethyl)-4-methyl-4-phenylpentane-1,2-diol (PubChem CID 69420884) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-4-methyl-4-phenylpentane-1,2-diol.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-4-methyl-4-phenylpentane-1,2-diol
PubChem CID69420884
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name2-(cyclohexylmethyl)-4-methyl-4-phenylpentane-1,2-diol
SMILESCC(C)(CC(O)(CO)CC1CCCCC1)c1ccccc1
InChIInChI=1S/C19H30O2/c1-18(2,17-11-7-4-8-12-17)14-19(21,15-20)13-16-9-5-3-6-10-16/h4,7-8,11-12,16,20-21H,3,5-6,9-10,13-15H2,1-2H3
InChIKeyCJFUUTLEFLJKKY-UHFFFAOYSA-N
XLogP4.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 177391647
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(1-cyclobutyl-3-cyclopropyl-2-methylpropan-2-yl)benzene
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(3R)-4-cyclohexyl-3-fluoro-3-phenylbutan-1-ol
CID 138375710
2-cyclohexyl-N-(1-hydroxy-2-phenylpropan-2-yl)acetamide
CID 105058964
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
4-amino-1-cyclohexyl-4-phenylpentan-3-one
CID 114193549
2-(cyclohexylamino)-2-phenylpropan-1-ol
CID 61045452
N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide
CID 110307449
1-cyclohexyl-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol
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CID 115467190

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-4-methyl-4-phenylpentane-1,2-diol?
The IUPAC name of 2-(cyclohexylmethyl)-4-methyl-4-phenylpentane-1,2-diol (CID 69420884) is 2-(cyclohexylmethyl)-4-methyl-4-phenylpentane-1,2-diol.
What is the SMILES notation for 2-(cyclohexylmethyl)-4-methyl-4-phenylpentane-1,2-diol?
The canonical SMILES for 2-(cyclohexylmethyl)-4-methyl-4-phenylpentane-1,2-diol is CC(C)(CC(O)(CO)CC1CCCCC1)c1ccccc1.
What is the InChIKey of 2-(cyclohexylmethyl)-4-methyl-4-phenylpentane-1,2-diol?
The InChIKey is CJFUUTLEFLJKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-18(2,17-11-7-4-8-12-17)14-19(21,15-20)13-16-9-5-3-6-10-16/h4,7-8,11-12,16,20-21H,3,5-6,9-10,13-15H2,1-2H3.
What are the key properties of 2-(cyclohexylmethyl)-4-methyl-4-phenylpentane-1,2-diol?
2-(cyclohexylmethyl)-4-methyl-4-phenylpentane-1,2-diol has a molecular weight of 290.45 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-4-methyl-4-phenylpentane-1,2-diol is sourced from PubChem (CID 69420884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).