1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol

C16H23FO2 — CID 103395024

IUPAC1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol
SMILESCOc1ccc(C2(O)CCCC(C)(C)CC2)c(F)c1
InChIInChI=1S/C16H23FO2/c1-15(2)7-4-8-16(18,10-9-15)13-6-5-12(19-3)11-14(13)17/h5-6,11,18H,4,7-10H2,1-3H3
InChIKeyFDMSXAXQGMFCPF-UHFFFAOYSA-N
MW266.36 g/mol
LogP4.01
Rot. Bonds2

About 1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol

1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol (PubChem CID 103395024) has the molecular formula C16H23FO2 and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol
PubChem CID103395024
Molecular FormulaC16H23FO2
Molecular Weight266.36 g/mol
Exact Mass266.17
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol
SMILESCOc1ccc(C2(O)CCCC(C)(C)CC2)c(F)c1
InChIInChI=1S/C16H23FO2/c1-15(2)7-4-8-16(18,10-9-15)13-6-5-12(19-3)11-14(13)17/h5-6,11,18H,4,7-10H2,1-3H3
InChIKeyFDMSXAXQGMFCPF-UHFFFAOYSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-ol
CID 65313647
1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol
CID 171366570
1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol
CID 103396883
1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol
CID 171367787
4,4-dimethyl-1-(2,3,4-trifluorophenyl)cycloheptan-1-ol
CID 65085438
1-(2-fluoro-4-methoxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429701
1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-1-ol
CID 65085746
1-(3,4-difluorophenyl)-4,4-dimethylcycloheptan-1-ol
CID 65086098
1-(3-bromo-2,4-dimethoxyphenyl)-4,4-dimethylcycloheptan-1-ol
CID 103522872
1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 80699237
1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65313238
3-(2-fluoro-4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 103395075

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol (CID 103395024) is 1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol is COc1ccc(C2(O)CCCC(C)(C)CC2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol?
The InChIKey is FDMSXAXQGMFCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2/c1-15(2)7-4-8-16(18,10-9-15)13-6-5-12(19-3)11-14(13)17/h5-6,11,18H,4,7-10H2,1-3H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol?
1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol has a molecular weight of 266.36 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol is sourced from PubChem (CID 103395024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).