(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol

C11H13ClO2 — CID 106694120

IUPAC(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol
SMILESOC(C1=CCCCC1)c1ccoc1Cl
InChIInChI=1S/C11H13ClO2/c12-11-9(6-7-14-11)10(13)8-4-2-1-3-5-8/h4,6-7,10,13H,1-3,5H2
InChIKeyCBYFTWNPWONJLQ-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.47
Rot. Bonds2

About (2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol

(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol (PubChem CID 106694120) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol
PubChem CID106694120
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol
SMILESOC(C1=CCCCC1)c1ccoc1Cl
InChIInChI=1S/C11H13ClO2/c12-11-9(6-7-14-11)10(13)8-4-2-1-3-5-8/h4,6-7,10,13H,1-3,5H2
InChIKeyCBYFTWNPWONJLQ-UHFFFAOYSA-N
XLogP3.47
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106694850
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
(5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol
CID 106657827
(4-chloro-2,5-difluorophenyl)-(cyclohexen-1-yl)methanol
CID 82773069
(4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol
CID 62079642
(4-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanol
CID 62079111
(5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol
CID 63427383
(3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657539
cyclohepten-1-yl-(2,6-dichlorophenyl)methanol
CID 63427509
(5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol
CID 106651543
cyclohexen-1-yl(quinoxalin-2-yl)methanol
CID 107357780
cyclohexen-1-yl-(5-phenyl-1H-pyrazol-4-yl)methanol
CID 106651341

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol?
The IUPAC name of (2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol (CID 106694120) is (2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol.
What is the SMILES notation for (2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol?
The canonical SMILES for (2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol is OC(C1=CCCCC1)c1ccoc1Cl.
What is the InChIKey of (2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol?
The InChIKey is CBYFTWNPWONJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c12-11-9(6-7-14-11)10(13)8-4-2-1-3-5-8/h4,6-7,10,13H,1-3,5H2.
What are the key properties of (2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol?
(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol has a molecular weight of 212.68 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol is sourced from PubChem (CID 106694120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).