1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol

C14H19FO2 — CID 82805652

IUPAC1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol
SMILESCOc1cccc(C2(O)CCC(C)(C)C2)c1F
InChIInChI=1S/C14H19FO2/c1-13(2)7-8-14(16,9-13)10-5-4-6-11(17-3)12(10)15/h4-6,16H,7-9H2,1-3H3
InChIKeyGFZGAWCFTJRVIE-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.23
Rot. Bonds2

About 1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol

1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol (PubChem CID 82805652) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol
PubChem CID82805652
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol
SMILESCOc1cccc(C2(O)CCC(C)(C)C2)c1F
InChIInChI=1S/C14H19FO2/c1-13(2)7-8-14(16,9-13)10-5-4-6-11(17-3)12(10)15/h4-6,16H,7-9H2,1-3H3
InChIKeyGFZGAWCFTJRVIE-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)cyclopropan-1-ol
CID 83808255
3-(2-fluoro-3-methoxyphenyl)azetidin-3-ol
CID 82008577
(1R)-1-(2-fluorophenyl)-3,3-dimethylcyclopentan-1-ol
CID 124512737
1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 82805715
2-(2-fluoro-3-methoxyphenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 82806828
1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol
CID 82806761
3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 80699709
1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 80699237
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol
CID 82808469
1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 104791871
3-(2-methoxyphenyl)-5,5-dimethylthian-3-ol
CID 79946466
1-(2-fluoro-6-methoxyphenyl)cyclopropan-1-ol
CID 65434652

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol (CID 82805652) is 1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol is COc1cccc(C2(O)CCC(C)(C)C2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol?
The InChIKey is GFZGAWCFTJRVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-13(2)7-8-14(16,9-13)10-5-4-6-11(17-3)12(10)15/h4-6,16H,7-9H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol?
1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol has a molecular weight of 238.30 g/mol, XLogP of 3.23, 2 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)-3,3-dimethylcyclopentan-1-ol is sourced from PubChem (CID 82805652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).