6-chloro-8-methoxy-2-oxochromene-3-carbaldehyde

C11H7ClO4 — CID 134990010

IUPAC6-chloro-8-methoxy-2-oxochromene-3-carbaldehyde
SMILESCOc1cc(Cl)cc2cc(C=O)c(=O)oc12
InChIInChI=1S/C11H7ClO4/c1-15-9-4-8(12)3-6-2-7(5-13)11(14)16-10(6)9/h2-5H,1H3
InChIKeyVOTGVLIVRBJTOB-UHFFFAOYSA-N
MW238.63 g/mol
LogP2.27
Rot. Bonds2

About 6-chloro-8-methoxy-2-oxochromene-3-carbaldehyde

6-chloro-8-methoxy-2-oxochromene-3-carbaldehyde (PubChem CID 134990010) has the molecular formula C11H7ClO4 and a molecular weight of 238.63 g/mol. Its IUPAC name is 6-chloro-8-methoxy-2-oxochromene-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-8-methoxy-2-oxochromene-3-carbaldehyde
PubChem CID134990010
Molecular FormulaC11H7ClO4
Molecular Weight238.63 g/mol
Exact Mass238.00
IUPAC Name6-chloro-8-methoxy-2-oxochromene-3-carbaldehyde
SMILESCOc1cc(Cl)cc2cc(C=O)c(=O)oc12
InChIInChI=1S/C11H7ClO4/c1-15-9-4-8(12)3-6-2-7(5-13)11(14)16-10(6)9/h2-5H,1H3
InChIKeyVOTGVLIVRBJTOB-UHFFFAOYSA-N
XLogP2.27
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-8-methoxy-2-oxochromene-3-carbaldehyde 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

5-chloro-7-methoxy-2-methyl-1-benzofuran
CID 135380056
5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid
CID 2060035
5-chloro-7-methoxy-1-benzofuran-2-carboxylate
CID 2060034
5-chloro-7-methoxy-2-methyl-1-benzofuran-3-carbaldehyde
CID 135380692
(5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 104666670
6,8-dichloro-3-(3,4,5-trimethoxyphenyl)chromen-2-one
CID 155815336
2-bromo-6-methoxy-1-benzofuran-5-carbaldehyde
CID 83919931
6-bromo-5,7,8-trimethoxy-2-oxochromene-3-carbaldehyde
CID 134911721
7-methoxy-2-oxochromene-3-carbaldehyde
CID 10420437
(5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone
CID 104666651
5-chloro-7-methoxy-1-benzofuran
CID 123860132
2,5-dichloro-7-methoxy-1,3-benzoxazole
CID 131003018

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methoxy-2-oxochromene-3-carbaldehyde?
The IUPAC name of 6-chloro-8-methoxy-2-oxochromene-3-carbaldehyde (CID 134990010) is 6-chloro-8-methoxy-2-oxochromene-3-carbaldehyde.
What is the SMILES notation for 6-chloro-8-methoxy-2-oxochromene-3-carbaldehyde?
The canonical SMILES for 6-chloro-8-methoxy-2-oxochromene-3-carbaldehyde is COc1cc(Cl)cc2cc(C=O)c(=O)oc12.
What is the InChIKey of 6-chloro-8-methoxy-2-oxochromene-3-carbaldehyde?
The InChIKey is VOTGVLIVRBJTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO4/c1-15-9-4-8(12)3-6-2-7(5-13)11(14)16-10(6)9/h2-5H,1H3.
What are the key properties of 6-chloro-8-methoxy-2-oxochromene-3-carbaldehyde?
6-chloro-8-methoxy-2-oxochromene-3-carbaldehyde has a molecular weight of 238.63 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methoxy-2-oxochromene-3-carbaldehyde is sourced from PubChem (CID 134990010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).