(4-phenylcyclohexyl) carbonochloridate

C13H15ClO2 — CID 57313775

IUPAC(4-phenylcyclohexyl) carbonochloridate
SMILESO=C(Cl)OC1CCC(c2ccccc2)CC1
InChIInChI=1S/C13H15ClO2/c14-13(15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyMYFBFKVMIPEFHO-UHFFFAOYSA-N
MW238.71 g/mol
LogP4.09
Rot. Bonds2

About (4-phenylcyclohexyl) carbonochloridate

(4-phenylcyclohexyl) carbonochloridate (PubChem CID 57313775) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is (4-phenylcyclohexyl) carbonochloridate.

Molecular Properties

Compound Name(4-phenylcyclohexyl) carbonochloridate
PubChem CID57313775
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name(4-phenylcyclohexyl) carbonochloridate
SMILESO=C(Cl)OC1CCC(c2ccccc2)CC1
InChIInChI=1S/C13H15ClO2/c14-13(15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyMYFBFKVMIPEFHO-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-phenylcyclohexyl) carbonochloridate 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-phenylcyclohexyl) carbonochloridate?
The IUPAC name of (4-phenylcyclohexyl) carbonochloridate (CID 57313775) is (4-phenylcyclohexyl) carbonochloridate.
What is the SMILES notation for (4-phenylcyclohexyl) carbonochloridate?
The canonical SMILES for (4-phenylcyclohexyl) carbonochloridate is O=C(Cl)OC1CCC(c2ccccc2)CC1.
What is the InChIKey of (4-phenylcyclohexyl) carbonochloridate?
The InChIKey is MYFBFKVMIPEFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c14-13(15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2.
What are the key properties of (4-phenylcyclohexyl) carbonochloridate?
(4-phenylcyclohexyl) carbonochloridate has a molecular weight of 238.71 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylcyclohexyl) carbonochloridate is sourced from PubChem (CID 57313775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).