1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol

C14H18ClFO — CID 103039179

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol
SMILESCCC1CCCC1(O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H18ClFO/c1-2-11-4-3-7-14(11,17)9-10-5-6-13(16)12(15)8-10/h5-6,8,11,17H,2-4,7,9H2,1H3
InChIKeyCXPIMVLXFNJXMI-UHFFFAOYSA-N
MW256.75 g/mol
LogP3.96
Rot. Bonds3

About 1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol

1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol (PubChem CID 103039179) has the molecular formula C14H18ClFO and a molecular weight of 256.75 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol
PubChem CID103039179
Molecular FormulaC14H18ClFO
Molecular Weight256.75 g/mol
Exact Mass256.10
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol
SMILESCCC1CCCC1(O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H18ClFO/c1-2-11-4-3-7-14(11,17)9-10-5-6-13(16)12(15)8-10/h5-6,8,11,17H,2-4,7,9H2,1H3
InChIKeyCXPIMVLXFNJXMI-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 103039036
1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol
CID 103039079
1-[(2-chloro-4-methylphenyl)methyl]-2-ethylcyclopentan-1-ol
CID 106866634
2-chloro-4-[[1-(chloromethyl)cyclobutyl]methyl]-1-fluorobenzene
CID 103042016
1-[(5-bromo-2-fluorophenyl)methyl]-2-ethylcyclohexan-1-ol
CID 65148904
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 65149544
3-[(3-chloro-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 103041673
1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentane-1-carboxylic acid
CID 103041924
1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol
CID 65149328
4-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-ol
CID 103038905
3-[(3-chloro-4-fluorophenyl)methyl]oxan-3-ol
CID 103039030
4-[[4-butyl-1-(chloromethyl)cyclohexyl]methyl]-2-chloro-1-fluorobenzene
CID 103042014

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol (CID 103039179) is 1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol is CCC1CCCC1(O)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol?
The InChIKey is CXPIMVLXFNJXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFO/c1-2-11-4-3-7-14(11,17)9-10-5-6-13(16)12(15)8-10/h5-6,8,11,17H,2-4,7,9H2,1H3.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol?
1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol has a molecular weight of 256.75 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol is sourced from PubChem (CID 103039179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).