1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol

C16H23FO2 — CID 65154167

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol
SMILESCOc1ccc(CC2(O)CCC(C)C(C)C2)cc1F
InChIInChI=1S/C16H23FO2/c1-11-6-7-16(18,9-12(11)2)10-13-4-5-15(19-3)14(17)8-13/h4-5,8,11-12,18H,6-7,9-10H2,1-3H3
InChIKeyQNGVLJVIGCDEET-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.56
Rot. Bonds3

About 1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol

1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol (PubChem CID 65154167) has the molecular formula C16H23FO2 and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol
PubChem CID65154167
Molecular FormulaC16H23FO2
Molecular Weight266.36 g/mol
Exact Mass266.17
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol
SMILESCOc1ccc(CC2(O)CCC(C)C(C)C2)cc1F
InChIInChI=1S/C16H23FO2/c1-11-6-7-16(18,9-12(11)2)10-13-4-5-15(19-3)14(17)8-13/h4-5,8,11-12,18H,6-7,9-10H2,1-3H3
InChIKeyQNGVLJVIGCDEET-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

Analyze 1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol with MolForge

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Related Compounds

3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65154268
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
CID 79080855
3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65149488
3-[(3-fluoro-4-methoxyphenyl)methyl]-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171955064
3-[(3-fluoro-4-methoxyphenyl)methyl]-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171955063
3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylazetidin-3-ol
CID 83823334
1-[(3-fluoro-4-methoxyphenyl)methyl]-2,4,4-trimethylcyclopentan-1-ol
CID 106663938
1-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 65479093
3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538891
4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyloxan-4-ol
CID 114240701
1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932273
1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol
CID 64514304

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol (CID 65154167) is 1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol is COc1ccc(CC2(O)CCC(C)C(C)C2)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol?
The InChIKey is QNGVLJVIGCDEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2/c1-11-6-7-16(18,9-12(11)2)10-13-4-5-15(19-3)14(17)8-13/h4-5,8,11-12,18H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol?
1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-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-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65154167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).