(3Z)-3-benzylidene-6-chloro-4H-chromene

C16H13ClO — CID 45270658

IUPAC(3Z)-3-benzylidene-6-chloro-4H-chromene
SMILESClc1ccc2c(c1)C/C(=C/c1ccccc1)CO2
InChIInChI=1S/C16H13ClO/c17-15-6-7-16-14(10-15)9-13(11-18-16)8-12-4-2-1-3-5-12/h1-8,10H,9,11H2/b13-8-
InChIKeyMNOKFMBPMUBRGT-JYRVWZFOSA-N
MW256.73 g/mol
LogP4.36
Rot. Bonds1

About (3Z)-3-benzylidene-6-chloro-4H-chromene

(3Z)-3-benzylidene-6-chloro-4H-chromene (PubChem CID 45270658) has the molecular formula C16H13ClO and a molecular weight of 256.73 g/mol. Its IUPAC name is (3Z)-3-benzylidene-6-chloro-4H-chromene.

Molecular Properties

Compound Name(3Z)-3-benzylidene-6-chloro-4H-chromene
PubChem CID45270658
Molecular FormulaC16H13ClO
Molecular Weight256.73 g/mol
Exact Mass256.07
IUPAC Name(3Z)-3-benzylidene-6-chloro-4H-chromene
SMILESClc1ccc2c(c1)C/C(=C/c1ccccc1)CO2
InChIInChI=1S/C16H13ClO/c17-15-6-7-16-14(10-15)9-13(11-18-16)8-12-4-2-1-3-5-12/h1-8,10H,9,11H2/b13-8-
InChIKeyMNOKFMBPMUBRGT-JYRVWZFOSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3Z)-3-benzylidene-6-chloro-4H-chromene 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 (3Z)-3-benzylidene-6-chloro-4H-chromene?
The IUPAC name of (3Z)-3-benzylidene-6-chloro-4H-chromene (CID 45270658) is (3Z)-3-benzylidene-6-chloro-4H-chromene.
What is the SMILES notation for (3Z)-3-benzylidene-6-chloro-4H-chromene?
The canonical SMILES for (3Z)-3-benzylidene-6-chloro-4H-chromene is Clc1ccc2c(c1)C/C(=C/c1ccccc1)CO2.
What is the InChIKey of (3Z)-3-benzylidene-6-chloro-4H-chromene?
The InChIKey is MNOKFMBPMUBRGT-JYRVWZFOSA-N. The full InChI is InChI=1S/C16H13ClO/c17-15-6-7-16-14(10-15)9-13(11-18-16)8-12-4-2-1-3-5-12/h1-8,10H,9,11H2/b13-8-.
What are the key properties of (3Z)-3-benzylidene-6-chloro-4H-chromene?
(3Z)-3-benzylidene-6-chloro-4H-chromene has a molecular weight of 256.73 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-benzylidene-6-chloro-4H-chromene is sourced from PubChem (CID 45270658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).