2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol

C17H26O2 — CID 79422834

IUPAC2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCOc1ccc(CC2CC(C(C)C)CCC2O)cc1
InChIInChI=1S/C17H26O2/c1-12(2)14-6-9-17(18)15(11-14)10-13-4-7-16(19-3)8-5-13/h4-5,7-8,12,14-15,17-18H,6,9-11H2,1-3H3
InChIKeyWANDKJJXWVCYDU-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.67
Rot. Bonds4

About 2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol

2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 79422834) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
PubChem CID79422834
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCOc1ccc(CC2CC(C(C)C)CCC2O)cc1
InChIInChI=1S/C17H26O2/c1-12(2)14-6-9-17(18)15(11-14)10-13-4-7-16(19-3)8-5-13/h4-5,7-8,12,14-15,17-18H,6,9-11H2,1-3H3
InChIKeyWANDKJJXWVCYDU-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 79423001
2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 13024939
2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-propan-2-ylcyclohexan-1-ol
CID 81134950
3-(4-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)propan-1-ol
CID 65445692
2-ethyl-4-propan-2-ylcyclohexan-1-ol
CID 58534339
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62702803
(3S,5S)-3,5-bis[(4-methoxyphenyl)methyl]oxan-4-ol
CID 95987412
(1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 99949065
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560755
2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol
CID 79423024
2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol
CID 55194345

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol (CID 79422834) is 2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol is COc1ccc(CC2CC(C(C)C)CCC2O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is WANDKJJXWVCYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-12(2)14-6-9-17(18)15(11-14)10-13-4-7-16(19-3)8-5-13/h4-5,7-8,12,14-15,17-18H,6,9-11H2,1-3H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol?
2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 79422834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).