9-chloro-2-methylbenzo[c]chromen-6-one

C14H9ClO2 — CID 10490538

IUPAC9-chloro-2-methylbenzo[c]chromen-6-one
SMILESCc1ccc2oc(=O)c3ccc(Cl)cc3c2c1
InChIInChI=1S/C14H9ClO2/c1-8-2-5-13-12(6-8)11-7-9(15)3-4-10(11)14(16)17-13/h2-7H,1H3
InChIKeyYUKOVTVRTOCYGY-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.91
Rot. Bonds

About 9-chloro-2-methylbenzo[c]chromen-6-one

9-chloro-2-methylbenzo[c]chromen-6-one (PubChem CID 10490538) has the molecular formula C14H9ClO2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 9-chloro-2-methylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name9-chloro-2-methylbenzo[c]chromen-6-one
PubChem CID10490538
Molecular FormulaC14H9ClO2
Molecular Weight244.68 g/mol
Exact Mass244.03
IUPAC Name9-chloro-2-methylbenzo[c]chromen-6-one
SMILESCc1ccc2oc(=O)c3ccc(Cl)cc3c2c1
InChIInChI=1S/C14H9ClO2/c1-8-2-5-13-12(6-8)11-7-9(15)3-4-10(11)14(16)17-13/h2-7H,1H3
InChIKeyYUKOVTVRTOCYGY-UHFFFAOYSA-N
XLogP3.91
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-chloro-8,9-dimethoxybenzo[c]chromen-6-one
CID 164686324
19-chloro-5,10-dimethyl-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene
CID 139337304
2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one
CID 167609389
9-bromo-3-methylbenzo[c]chromen-6-one
CID 167533564
10-methoxy-2-methylnaphtho[2,3-c]chromen-6-one
CID 15262080
8-chloro-3-methyl-1-(4-methylphenyl)chromeno[3,4-d]pyrazol-4-one
CID 139225176
4-hydroxy-6-methyl-3-(methyliminomethyl)chromen-2-one
CID 136698388
2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one
CID 7729084
10-chloro-[1,3]benzodioxolo[6,7-c]isochromen-7-one
CID 162671341
7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one
CID 14631583
4-chloro-3-[hydroxy(oxido)amino]-6-methylchromen-2-one
CID 163132795
4-chloro-7-methyl-2-oxochromene-3-carbaldehyde
CID 15372644

Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-methylbenzo[c]chromen-6-one?
The IUPAC name of 9-chloro-2-methylbenzo[c]chromen-6-one (CID 10490538) is 9-chloro-2-methylbenzo[c]chromen-6-one.
What is the SMILES notation for 9-chloro-2-methylbenzo[c]chromen-6-one?
The canonical SMILES for 9-chloro-2-methylbenzo[c]chromen-6-one is Cc1ccc2oc(=O)c3ccc(Cl)cc3c2c1.
What is the InChIKey of 9-chloro-2-methylbenzo[c]chromen-6-one?
The InChIKey is YUKOVTVRTOCYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO2/c1-8-2-5-13-12(6-8)11-7-9(15)3-4-10(11)14(16)17-13/h2-7H,1H3.
What are the key properties of 9-chloro-2-methylbenzo[c]chromen-6-one?
9-chloro-2-methylbenzo[c]chromen-6-one has a molecular weight of 244.68 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-methylbenzo[c]chromen-6-one is sourced from PubChem (CID 10490538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).