1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol

C13H16ClFO — CID 112653078

IUPAC1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
SMILESCC1CCC(O)(Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C13H16ClFO/c1-9-5-6-13(16,7-9)8-10-3-2-4-11(15)12(10)14/h2-4,9,16H,5-8H2,1H3
InChIKeyAYMHPDVUMFDMSH-UHFFFAOYSA-N
MW242.72 g/mol
LogP3.57
Rot. Bonds2

About 1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol

1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol (PubChem CID 112653078) has the molecular formula C13H16ClFO and a molecular weight of 242.72 g/mol. Its IUPAC name is 1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
PubChem CID112653078
Molecular FormulaC13H16ClFO
Molecular Weight242.72 g/mol
Exact Mass242.09
IUPAC Name1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
SMILESCC1CCC(O)(Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C13H16ClFO/c1-9-5-6-13(16,7-9)8-10-3-2-4-11(15)12(10)14/h2-4,9,16H,5-8H2,1H3
InChIKeyAYMHPDVUMFDMSH-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429837
1-[(2-chloro-3-fluorophenyl)methyl]-3-cyclopropylcyclohexan-1-ol
CID 112653080
1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 115983401
3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol
CID 112653138
[1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 112654779
7-[(2-chloro-3-fluorophenyl)methyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 112653152
1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
CID 112652934
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 65153621
3-[(2-chloro-3-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol
CID 112652969
1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol
CID 114346880
3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 112655178
4-[(2-chloro-3-fluorophenyl)methyl]-2-ethyl-2-methyloxan-4-ol
CID 112653071

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol?
The IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol (CID 112653078) is 1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol.
What is the SMILES notation for 1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol?
The canonical SMILES for 1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol is CC1CCC(O)(Cc2cccc(F)c2Cl)C1.
What is the InChIKey of 1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol?
The InChIKey is AYMHPDVUMFDMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO/c1-9-5-6-13(16,7-9)8-10-3-2-4-11(15)12(10)14/h2-4,9,16H,5-8H2,1H3.
What are the key properties of 1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol?
1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol has a molecular weight of 242.72 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol is sourced from PubChem (CID 112653078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).