2-(1-benzothiophen-2-yl)-6-chloro-3-prop-2-enoxychromen-4-one

C20H13ClO3S — CID 155898992

IUPAC2-(1-benzothiophen-2-yl)-6-chloro-3-prop-2-enoxychromen-4-one
SMILESC=CCOc1c(-c2cc3ccccc3s2)oc2ccc(Cl)cc2c1=O
InChIInChI=1S/C20H13ClO3S/c1-2-9-23-20-18(22)14-11-13(21)7-8-15(14)24-19(20)17-10-12-5-3-4-6-16(12)25-17/h2-8,10-11H,1,9H2
InChIKeyUZCQLDMPONDDHH-UHFFFAOYSA-N
MW368.84 g/mol
LogP5.89
Rot. Bonds4

About 2-(1-benzothiophen-2-yl)-6-chloro-3-prop-2-enoxychromen-4-one

2-(1-benzothiophen-2-yl)-6-chloro-3-prop-2-enoxychromen-4-one (PubChem CID 155898992) has the molecular formula C20H13ClO3S and a molecular weight of 368.84 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-6-chloro-3-prop-2-enoxychromen-4-one.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-6-chloro-3-prop-2-enoxychromen-4-one
PubChem CID155898992
Molecular FormulaC20H13ClO3S
Molecular Weight368.84 g/mol
Exact Mass368.03
IUPAC Name2-(1-benzothiophen-2-yl)-6-chloro-3-prop-2-enoxychromen-4-one
SMILESC=CCOc1c(-c2cc3ccccc3s2)oc2ccc(Cl)cc2c1=O
InChIInChI=1S/C20H13ClO3S/c1-2-9-23-20-18(22)14-11-13(21)7-8-15(14)24-19(20)17-10-12-5-3-4-6-16(12)25-17/h2-8,10-11H,1,9H2
InChIKeyUZCQLDMPONDDHH-UHFFFAOYSA-N
XLogP5.89
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.84
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-benzothiophen-2-yl)-6-chloro-3-prop-2-enoxychromen-4-one 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

6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one
CID 101197027
methyl (E)-4-(6-chloro-4-oxo-2-thiophen-2-ylchromen-3-yl)oxybut-2-enoate
CID 101197013
methyl (E)-4-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxybut-2-enoate
CID 101197009
6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one
CID 101197029
6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one
CID 21000206
6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one
CID 7746663
6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one
CID 21000417
5-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]-N-hydroxythiophene-2-carboxamide
CID 175508448
7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853734
6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one
CID 10406627
6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one
CID 102287336
6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746679

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-6-chloro-3-prop-2-enoxychromen-4-one?
The IUPAC name of 2-(1-benzothiophen-2-yl)-6-chloro-3-prop-2-enoxychromen-4-one (CID 155898992) is 2-(1-benzothiophen-2-yl)-6-chloro-3-prop-2-enoxychromen-4-one.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-6-chloro-3-prop-2-enoxychromen-4-one?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-6-chloro-3-prop-2-enoxychromen-4-one is C=CCOc1c(-c2cc3ccccc3s2)oc2ccc(Cl)cc2c1=O.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-6-chloro-3-prop-2-enoxychromen-4-one?
The InChIKey is UZCQLDMPONDDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClO3S/c1-2-9-23-20-18(22)14-11-13(21)7-8-15(14)24-19(20)17-10-12-5-3-4-6-16(12)25-17/h2-8,10-11H,1,9H2.
What are the key properties of 2-(1-benzothiophen-2-yl)-6-chloro-3-prop-2-enoxychromen-4-one?
2-(1-benzothiophen-2-yl)-6-chloro-3-prop-2-enoxychromen-4-one has a molecular weight of 368.84 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-6-chloro-3-prop-2-enoxychromen-4-one is sourced from PubChem (CID 155898992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).