1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol

C17H26O2 — CID 103451727

IUPAC1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol
SMILESCC(C)Cc1cccc(C(O)C2(O)CCCCC2)c1
InChIInChI=1S/C17H26O2/c1-13(2)11-14-7-6-8-15(12-14)16(18)17(19)9-4-3-5-10-17/h6-8,12-13,16,18-19H,3-5,9-11H2,1-2H3
InChIKeyJEZKOJCCASMYBV-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.61
Rot. Bonds4

About 1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol

1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol (PubChem CID 103451727) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol
PubChem CID103451727
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol
SMILESCC(C)Cc1cccc(C(O)C2(O)CCCCC2)c1
InChIInChI=1S/C17H26O2/c1-13(2)11-14-7-6-8-15(12-14)16(18)17(19)9-4-3-5-10-17/h6-8,12-13,16,18-19H,3-5,9-11H2,1-2H3
InChIKeyJEZKOJCCASMYBV-UHFFFAOYSA-N
XLogP3.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol
CID 116542681
(1-hydroxycycloheptyl)-[3-(2-methylpropyl)phenyl]methanone
CID 103450378
1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050783
1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol
CID 103452078
(2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544912
N,N-dimethyl-1-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine
CID 116544690
2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543527
[3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine
CID 116544293
1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol
CID 103452040
cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine
CID 116544893
1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol
CID 103451734
3-[3-(2-methylpropyl)phenyl]piperidin-3-ol
CID 116542352

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol (CID 103451727) is 1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol is CC(C)Cc1cccc(C(O)C2(O)CCCCC2)c1.
What is the InChIKey of 1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol?
The InChIKey is JEZKOJCCASMYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-13(2)11-14-7-6-8-15(12-14)16(18)17(19)9-4-3-5-10-17/h6-8,12-13,16,18-19H,3-5,9-11H2,1-2H3.
What are the key properties of 1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol?
1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103451727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).