1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol

C16H23FO2 — CID 104793153

IUPAC1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol
SMILESCOc1cccc(CC2(O)CC(C)CCC2C)c1F
InChIInChI=1S/C16H23FO2/c1-11-7-8-12(2)16(18,9-11)10-13-5-4-6-14(19-3)15(13)17/h4-6,11-12,18H,7-10H2,1-3H3
InChIKeySATMYDQRPVVRJD-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.56
Rot. Bonds3

About 1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol

1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol (PubChem CID 104793153) has the molecular formula C16H23FO2 and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol
PubChem CID104793153
Molecular FormulaC16H23FO2
Molecular Weight266.36 g/mol
Exact Mass266.17
IUPAC Name1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol
SMILESCOc1cccc(CC2(O)CC(C)CCC2C)c1F
InChIInChI=1S/C16H23FO2/c1-11-7-8-12(2)16(18,9-11)10-13-5-4-6-14(19-3)15(13)17/h4-6,11-12,18H,7-10H2,1-3H3
InChIKeySATMYDQRPVVRJD-UHFFFAOYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol
CID 82805530
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol
CID 104793177
3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol
CID 113453697
4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 104792990
1-[(2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65050430
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol
CID 113453825
1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 104795403
1-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoro-3-methoxybenzene
CID 104795473
2-[(2-fluoro-3-methoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 104792789
4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol
CID 104793164
2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine
CID 82810757
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104795133

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol (CID 104793153) is 1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol is COc1cccc(CC2(O)CC(C)CCC2C)c1F.
What is the InChIKey of 1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol?
The InChIKey is SATMYDQRPVVRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2/c1-11-7-8-12(2)16(18,9-11)10-13-5-4-6-14(19-3)15(13)17/h4-6,11-12,18H,7-10H2,1-3H3.
What are the key properties of 1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol?
1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol has a molecular weight of 266.36 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 104793153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).