[4-[(E)-3-chloroprop-2-enoxy]cyclohexyl]methanol

C10H17ClO2 — CID 106825415

IUPAC[4-[(E)-3-chloroprop-2-enoxy]cyclohexyl]methanol
SMILESOCC1CCC(OC/C=C/Cl)CC1
InChIInChI=1S/C10H17ClO2/c11-6-1-7-13-10-4-2-9(8-12)3-5-10/h1,6,9-10,12H,2-5,7-8H2/b6-1+
InChIKeyWTLISSRMQASFHQ-LZCJLJQNSA-N
MW204.70 g/mol
LogP2.31
Rot. Bonds4

About [4-[(E)-3-chloroprop-2-enoxy]cyclohexyl]methanol

[4-[(E)-3-chloroprop-2-enoxy]cyclohexyl]methanol (PubChem CID 106825415) has the molecular formula C10H17ClO2 and a molecular weight of 204.70 g/mol. Its IUPAC name is [4-[(E)-3-chloroprop-2-enoxy]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(E)-3-chloroprop-2-enoxy]cyclohexyl]methanol
PubChem CID106825415
Molecular FormulaC10H17ClO2
Molecular Weight204.70 g/mol
Exact Mass204.09
IUPAC Name[4-[(E)-3-chloroprop-2-enoxy]cyclohexyl]methanol
SMILESOCC1CCC(OC/C=C/Cl)CC1
InChIInChI=1S/C10H17ClO2/c11-6-1-7-13-10-4-2-9(8-12)3-5-10/h1,6,9-10,12H,2-5,7-8H2/b6-1+
InChIKeyWTLISSRMQASFHQ-LZCJLJQNSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[(E)-3-chloroprop-2-enoxy]cyclohexyl]methanol 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 [4-[(E)-3-chloroprop-2-enoxy]cyclohexyl]methanol?
The IUPAC name of [4-[(E)-3-chloroprop-2-enoxy]cyclohexyl]methanol (CID 106825415) is [4-[(E)-3-chloroprop-2-enoxy]cyclohexyl]methanol.
What is the SMILES notation for [4-[(E)-3-chloroprop-2-enoxy]cyclohexyl]methanol?
The canonical SMILES for [4-[(E)-3-chloroprop-2-enoxy]cyclohexyl]methanol is OCC1CCC(OC/C=C/Cl)CC1.
What is the InChIKey of [4-[(E)-3-chloroprop-2-enoxy]cyclohexyl]methanol?
The InChIKey is WTLISSRMQASFHQ-LZCJLJQNSA-N. The full InChI is InChI=1S/C10H17ClO2/c11-6-1-7-13-10-4-2-9(8-12)3-5-10/h1,6,9-10,12H,2-5,7-8H2/b6-1+.
What are the key properties of [4-[(E)-3-chloroprop-2-enoxy]cyclohexyl]methanol?
[4-[(E)-3-chloroprop-2-enoxy]cyclohexyl]methanol has a molecular weight of 204.70 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-3-chloroprop-2-enoxy]cyclohexyl]methanol is sourced from PubChem (CID 106825415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).