(4-chloro-3-fluorophenyl)-(cyclopenten-1-yl)methanol

C12H12ClFO — CID 107991218

IUPAC(4-chloro-3-fluorophenyl)-(cyclopenten-1-yl)methanol
SMILESOC(C1=CCCC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H12ClFO/c13-10-6-5-9(7-11(10)14)12(15)8-3-1-2-4-8/h3,5-7,12,15H,1-2,4H2
InChIKeyNVPNIJAZYWVBGO-UHFFFAOYSA-N
MW226.68 g/mol
LogP3.62
Rot. Bonds2

About (4-chloro-3-fluorophenyl)-(cyclopenten-1-yl)methanol

(4-chloro-3-fluorophenyl)-(cyclopenten-1-yl)methanol (PubChem CID 107991218) has the molecular formula C12H12ClFO and a molecular weight of 226.68 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(cyclopenten-1-yl)methanol.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(cyclopenten-1-yl)methanol
PubChem CID107991218
Molecular FormulaC12H12ClFO
Molecular Weight226.68 g/mol
Exact Mass226.06
IUPAC Name(4-chloro-3-fluorophenyl)-(cyclopenten-1-yl)methanol
SMILESOC(C1=CCCC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H12ClFO/c13-10-6-5-9(7-11(10)14)12(15)8-3-1-2-4-8/h3,5-7,12,15H,1-2,4H2
InChIKeyNVPNIJAZYWVBGO-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol
CID 106651534
(4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol
CID 62080016
1-(4-chloro-3-fluorophenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 107995961
[(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol
CID 106651057
(4-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanol
CID 62079111
(4-chloro-2,5-difluorophenyl)-(cyclohexen-1-yl)methanol
CID 82773069
[(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol
CID 106657566
cyclopenten-1-yl(phenyl)methanol
CID 62079270
(4-chloro-3-fluorophenyl)-(2,3-difluorophenyl)methanol
CID 63988180
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
1-(3-chloro-4-fluorophenyl)-1-[(1E)-cycloocten-1-yl]-N-methylmethanamine
CID 106652930
(1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol
CID 97286939

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(cyclopenten-1-yl)methanol?
The IUPAC name of (4-chloro-3-fluorophenyl)-(cyclopenten-1-yl)methanol (CID 107991218) is (4-chloro-3-fluorophenyl)-(cyclopenten-1-yl)methanol.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(cyclopenten-1-yl)methanol?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(cyclopenten-1-yl)methanol is OC(C1=CCCC1)c1ccc(Cl)c(F)c1.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(cyclopenten-1-yl)methanol?
The InChIKey is NVPNIJAZYWVBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFO/c13-10-6-5-9(7-11(10)14)12(15)8-3-1-2-4-8/h3,5-7,12,15H,1-2,4H2.
What are the key properties of (4-chloro-3-fluorophenyl)-(cyclopenten-1-yl)methanol?
(4-chloro-3-fluorophenyl)-(cyclopenten-1-yl)methanol has a molecular weight of 226.68 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(cyclopenten-1-yl)methanol is sourced from PubChem (CID 107991218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).