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

C14H9ClO3 — CID 167609389

IUPAC2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one
SMILESCc1ccc2c(c1)c(=O)oc1cc(O)c(Cl)cc12
InChIInChI=1S/C14H9ClO3/c1-7-2-3-8-9-5-11(15)12(16)6-13(9)18-14(17)10(8)4-7/h2-6,16H,1H3
InChIKeyQNTGDSUOXYTBFK-UHFFFAOYSA-N
MW260.68 g/mol
LogP3.61
Rot. Bonds

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

2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one (PubChem CID 167609389) has the molecular formula C14H9ClO3 and a molecular weight of 260.68 g/mol. Its IUPAC name is 2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one
PubChem CID167609389
Molecular FormulaC14H9ClO3
Molecular Weight260.68 g/mol
Exact Mass260.02
IUPAC Name2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one
SMILESCc1ccc2c(c1)c(=O)oc1cc(O)c(Cl)cc12
InChIInChI=1S/C14H9ClO3/c1-7-2-3-8-9-5-11(15)12(16)6-13(9)18-14(17)10(8)4-7/h2-6,16H,1H3
InChIKeyQNTGDSUOXYTBFK-UHFFFAOYSA-N
XLogP3.61
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 53.61
H-Bond Donors ≤ 51
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

9-chloro-2-methylbenzo[c]chromen-6-one
CID 10490538
2-chloro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one
CID 164598650
6-chloro-7-hydroxy-2,3-dimethylchromen-4-one
CID 15482447
4-fluoro-3-hydroxy-8-methylbenzo[c]chromen-6-one
CID 167668270
3-(difluoromethyl)-8-methylbenzo[c]chromen-6-one
CID 167635603
2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one
CID 167583154
4-hydroxy-3,7-dimethylchromen-2-one
CID 54727939
8-methyl-3-(methylamino)isochromeno[4,3-c]pyridin-6-one
CID 167663656
7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one
CID 14631583
N-(8-methyl-6-oxobenzo[c]chromen-3-yl)methanesulfonamide
CID 167635607
7,9-dihydroxy-3-methylbenzo[c]chromen-6-one
CID 167630896
2-(1,1-difluoroethyl)-3,8-dihydroxybenzo[c]chromen-6-one
CID 167659891

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one?
The IUPAC name of 2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one (CID 167609389) is 2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one.
What is the SMILES notation for 2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one?
The canonical SMILES for 2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one is Cc1ccc2c(c1)c(=O)oc1cc(O)c(Cl)cc12.
What is the InChIKey of 2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one?
The InChIKey is QNTGDSUOXYTBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO3/c1-7-2-3-8-9-5-11(15)12(16)6-13(9)18-14(17)10(8)4-7/h2-6,16H,1H3.
What are the key properties of 2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one?
2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one has a molecular weight of 260.68 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one is sourced from PubChem (CID 167609389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).