1-[(3-methoxyphenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol

C17H26O2 — CID 81313487

IUPAC1-[(3-methoxyphenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
SMILESCOc1cccc(CC2(O)CCC(C)(C)CC2C)c1
InChIInChI=1S/C17H26O2/c1-13-11-16(2,3)8-9-17(13,18)12-14-6-5-7-15(10-14)19-4/h5-7,10,13,18H,8-9,11-12H2,1-4H3
InChIKeyRZFVYHGIHWKDAA-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.82
Rot. Bonds3

About 1-[(3-methoxyphenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol

1-[(3-methoxyphenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol (PubChem CID 81313487) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
PubChem CID81313487
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-[(3-methoxyphenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
SMILESCOc1cccc(CC2(O)CCC(C)(C)CC2C)c1
InChIInChI=1S/C17H26O2/c1-13-11-16(2,3)8-9-17(13,18)12-14-6-5-7-15(10-14)19-4/h5-7,10,13,18H,8-9,11-12H2,1-4H3
InChIKeyRZFVYHGIHWKDAA-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79862440
1-[(3-methoxyphenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 65389386
8-[(3-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
CID 65147340
2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol
CID 65147763
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene
CID 66034461
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene
CID 84720329
1-[(5-chloro-2-fluorophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 103047716
1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanone
CID 116750169
1-[(3-chloro-4-pyridinyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81314999
3-[(3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63140807

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol (CID 81313487) is 1-[(3-methoxyphenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol is COc1cccc(CC2(O)CCC(C)(C)CC2C)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol?
The InChIKey is RZFVYHGIHWKDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-13-11-16(2,3)8-9-17(13,18)12-14-6-5-7-15(10-14)19-4/h5-7,10,13,18H,8-9,11-12H2,1-4H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol?
1-[(3-methoxyphenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol is sourced from PubChem (CID 81313487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).