1-chloro-3-(2-methylidenecyclohexyl)propan-2-ol

C10H17ClO — CID 14680124

IUPAC1-chloro-3-(2-methylidenecyclohexyl)propan-2-ol
SMILESC=C1CCCCC1CC(O)CCl
InChIInChI=1S/C10H17ClO/c1-8-4-2-3-5-9(8)6-10(12)7-11/h9-10,12H,1-7H2
InChIKeyGORBQTATLBFMRX-UHFFFAOYSA-N
MW188.70 g/mol
LogP2.72
Rot. Bonds3

About 1-chloro-3-(2-methylidenecyclohexyl)propan-2-ol

1-chloro-3-(2-methylidenecyclohexyl)propan-2-ol (PubChem CID 14680124) has the molecular formula C10H17ClO and a molecular weight of 188.70 g/mol. Its IUPAC name is 1-chloro-3-(2-methylidenecyclohexyl)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(2-methylidenecyclohexyl)propan-2-ol
PubChem CID14680124
Molecular FormulaC10H17ClO
Molecular Weight188.70 g/mol
Exact Mass188.10
IUPAC Name1-chloro-3-(2-methylidenecyclohexyl)propan-2-ol
SMILESC=C1CCCCC1CC(O)CCl
InChIInChI=1S/C10H17ClO/c1-8-4-2-3-5-9(8)6-10(12)7-11/h9-10,12H,1-7H2
InChIKeyGORBQTATLBFMRX-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloro-3-(2-methylidenecyclohexyl)propan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-methylidenecyclohexyl)propan-2-ol?
The IUPAC name of 1-chloro-3-(2-methylidenecyclohexyl)propan-2-ol (CID 14680124) is 1-chloro-3-(2-methylidenecyclohexyl)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(2-methylidenecyclohexyl)propan-2-ol?
The canonical SMILES for 1-chloro-3-(2-methylidenecyclohexyl)propan-2-ol is C=C1CCCCC1CC(O)CCl.
What is the InChIKey of 1-chloro-3-(2-methylidenecyclohexyl)propan-2-ol?
The InChIKey is GORBQTATLBFMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO/c1-8-4-2-3-5-9(8)6-10(12)7-11/h9-10,12H,1-7H2.
What are the key properties of 1-chloro-3-(2-methylidenecyclohexyl)propan-2-ol?
1-chloro-3-(2-methylidenecyclohexyl)propan-2-ol has a molecular weight of 188.70 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-methylidenecyclohexyl)propan-2-ol is sourced from PubChem (CID 14680124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).