1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-ol

C16H24O2 — CID 79852943

IUPAC1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCOc1ccccc1CC1(O)CCCCC1(C)C
InChIInChI=1S/C16H24O2/c1-15(2)10-6-7-11-16(15,17)12-13-8-4-5-9-14(13)18-3/h4-5,8-9,17H,6-7,10-12H2,1-3H3
InChIKeyDYZLIIODBXGZGA-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.57
Rot. Bonds3

About 1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-ol

1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-ol (PubChem CID 79852943) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-ol
PubChem CID79852943
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCOc1ccccc1CC1(O)CCCCC1(C)C
InChIInChI=1S/C16H24O2/c1-15(2)10-6-7-11-16(15,17)12-13-8-4-5-9-14(13)18-3/h4-5,8-9,17H,6-7,10-12H2,1-3H3
InChIKeyDYZLIIODBXGZGA-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79834373
3-[(2-methoxyphenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 79928571
[1-[(2-methoxyphenyl)methyl]cyclopentyl]methanamine
CID 62725891
1-[(2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65050430
2-[(2-methoxyphenyl)methyl]-2-methylpyrrolidine
CID 66466669
methyl 1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 116929879
1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79862440
1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol
CID 65077660
N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62724376
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449892
[3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol
CID 66058999
1-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 65390367

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-ol (CID 79852943) is 1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-ol is COc1ccccc1CC1(O)CCCCC1(C)C.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-ol?
The InChIKey is DYZLIIODBXGZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-15(2)10-6-7-11-16(15,17)12-13-8-4-5-9-14(13)18-3/h4-5,8-9,17H,6-7,10-12H2,1-3H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-ol?
1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79852943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).