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

C14H18ClFO — CID 103039036

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentan-1-ol
SMILESCCC1CCC(O)(Cc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C14H18ClFO/c1-2-10-5-6-14(17,8-10)9-11-3-4-13(16)12(15)7-11/h3-4,7,10,17H,2,5-6,8-9H2,1H3
InChIKeyZBOZPPVUFSGDJN-UHFFFAOYSA-N
MW256.75 g/mol
LogP3.96
Rot. Bonds3

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

1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentan-1-ol (PubChem CID 103039036) has the molecular formula C14H18ClFO and a molecular weight of 256.75 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentan-1-ol
PubChem CID103039036
Molecular FormulaC14H18ClFO
Molecular Weight256.75 g/mol
Exact Mass256.10
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentan-1-ol
SMILESCCC1CCC(O)(Cc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C14H18ClFO/c1-2-10-5-6-14(17,8-10)9-11-3-4-13(16)12(15)7-11/h3-4,7,10,17H,2,5-6,8-9H2,1H3
InChIKeyZBOZPPVUFSGDJN-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-ethylcyclopentane-1-carboxylic acid
CID 103041924
1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol
CID 103039079
3-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentan-1-ol
CID 65154318
1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol
CID 103039179
1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 64513612
3-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-ol
CID 65154101
3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65149488
1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol
CID 64514304
1-[(3-bromo-4-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65086137
4-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-ol
CID 103038905
3-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol
CID 103039184
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]-3-ethylcyclopentan-1-ol?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentan-1-ol (CID 103039036) is 1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentan-1-ol.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentan-1-ol?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentan-1-ol is CCC1CCC(O)(Cc2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentan-1-ol?
The InChIKey is ZBOZPPVUFSGDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFO/c1-2-10-5-6-14(17,8-10)9-11-3-4-13(16)12(15)7-11/h3-4,7,10,17H,2,5-6,8-9H2,1H3.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentan-1-ol?
1-[(3-chloro-4-fluorophenyl)methyl]-3-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]-3-ethylcyclopentan-1-ol is sourced from PubChem (CID 103039036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).