2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one

C15H11ClO3 — CID 167583154

IUPAC2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one
SMILESCOc1ccc2c(c1)c(=O)oc1cc(C)c(Cl)cc12
InChIInChI=1S/C15H11ClO3/c1-8-5-14-11(7-13(8)16)10-4-3-9(18-2)6-12(10)15(17)19-14/h3-7H,1-2H3
InChIKeyVYSGTWZMVQYFAA-UHFFFAOYSA-N
MW274.70 g/mol
LogP3.92
Rot. Bonds1

About 2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one

2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one (PubChem CID 167583154) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is 2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one
PubChem CID167583154
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Name2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one
SMILESCOc1ccc2c(c1)c(=O)oc1cc(C)c(Cl)cc12
InChIInChI=1S/C15H11ClO3/c1-8-5-14-11(7-13(8)16)10-4-3-9(18-2)6-12(10)15(17)19-14/h3-7H,1-2H3
InChIKeyVYSGTWZMVQYFAA-UHFFFAOYSA-N
XLogP3.92
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-chloro-8-methoxybenzo[c]chromen-6-one
CID 164598037
6-chloro-4-(4-chlorophenyl)-3-(4-methoxyphenyl)-7-methylchromen-2-one
CID 3563283
8-methoxy-6-oxobenzo[c]chromene-3-carbaldehyde
CID 14104558
8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 1347567
1-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one
CID 171936004
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxypropanoic acid
CID 2906441
ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 4914742
2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one
CID 167609389
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide
CID 175862262
3-(3,4-dichlorophenyl)-7-methoxy-4-methylchromen-2-one
CID 2372490
3-(3,3-dimethyl-2-oxobutoxy)-8-methoxybenzo[c]chromen-6-one
CID 1332673
7-methoxy-4-oxahexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1(14),2(11),5(10),6,8,12,15,17,19,21,23,25-dodecaen-3-one
CID 118617499

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one?
The IUPAC name of 2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one (CID 167583154) is 2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one.
What is the SMILES notation for 2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one?
The canonical SMILES for 2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one is COc1ccc2c(c1)c(=O)oc1cc(C)c(Cl)cc12.
What is the InChIKey of 2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one?
The InChIKey is VYSGTWZMVQYFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO3/c1-8-5-14-11(7-13(8)16)10-4-3-9(18-2)6-12(10)15(17)19-14/h3-7H,1-2H3.
What are the key properties of 2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one?
2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one has a molecular weight of 274.70 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one is sourced from PubChem (CID 167583154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).