(4-chloro-2,5-difluorophenyl)-(cyclohexen-1-yl)methanol

C13H13ClF2O — CID 82773069

IUPAC(4-chloro-2,5-difluorophenyl)-(cyclohexen-1-yl)methanol
SMILESOC(C1=CCCCC1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C13H13ClF2O/c14-10-7-11(15)9(6-12(10)16)13(17)8-4-2-1-3-5-8/h4,6-7,13,17H,1-3,5H2
InChIKeyHBVYJNTVTADUQS-UHFFFAOYSA-N
MW258.69 g/mol
LogP4.15
Rot. Bonds2

About (4-chloro-2,5-difluorophenyl)-(cyclohexen-1-yl)methanol

(4-chloro-2,5-difluorophenyl)-(cyclohexen-1-yl)methanol (PubChem CID 82773069) has the molecular formula C13H13ClF2O and a molecular weight of 258.69 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-(cyclohexen-1-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-(cyclohexen-1-yl)methanol
PubChem CID82773069
Molecular FormulaC13H13ClF2O
Molecular Weight258.69 g/mol
Exact Mass258.06
IUPAC Name(4-chloro-2,5-difluorophenyl)-(cyclohexen-1-yl)methanol
SMILESOC(C1=CCCCC1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C13H13ClF2O/c14-10-7-11(15)9(6-12(10)16)13(17)8-4-2-1-3-5-8/h4,6-7,13,17H,1-3,5H2
InChIKeyHBVYJNTVTADUQS-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.69
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanol
CID 62079111
N-[(4-chloro-2,5-difluorophenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656364
(4-chloro-3-fluorophenyl)-(cyclopenten-1-yl)methanol
CID 107991218
[(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol
CID 106651057
(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol
CID 106694120
(5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol
CID 63427383
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
(4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol
CID 62079642
[(1E)-cycloocten-1-yl]-(4-fluoro-2-methylphenyl)methanol
CID 106651066
cyclohepten-1-yl-(2,6-dichlorophenyl)methanol
CID 63427509
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol
CID 106651011
[(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol
CID 106657529

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-(cyclohexen-1-yl)methanol?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-(cyclohexen-1-yl)methanol (CID 82773069) is (4-chloro-2,5-difluorophenyl)-(cyclohexen-1-yl)methanol.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-(cyclohexen-1-yl)methanol?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-(cyclohexen-1-yl)methanol is OC(C1=CCCCC1)c1cc(F)c(Cl)cc1F.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-(cyclohexen-1-yl)methanol?
The InChIKey is HBVYJNTVTADUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2O/c14-10-7-11(15)9(6-12(10)16)13(17)8-4-2-1-3-5-8/h4,6-7,13,17H,1-3,5H2.
What are the key properties of (4-chloro-2,5-difluorophenyl)-(cyclohexen-1-yl)methanol?
(4-chloro-2,5-difluorophenyl)-(cyclohexen-1-yl)methanol has a molecular weight of 258.69 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-(cyclohexen-1-yl)methanol is sourced from PubChem (CID 82773069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).