3-chloro-8-methoxybenzo[c]chromen-6-one

C14H9ClO3 — CID 164598037

IUPAC3-chloro-8-methoxybenzo[c]chromen-6-one
SMILESCOc1ccc2c(c1)c(=O)oc1cc(Cl)ccc12
InChIInChI=1S/C14H9ClO3/c1-17-9-3-5-10-11-4-2-8(15)6-13(11)18-14(16)12(10)7-9/h2-7H,1H3
InChIKeyQGIBNAWKRHGUSD-UHFFFAOYSA-N
MW260.68 g/mol
LogP3.61
Rot. Bonds1

About 3-chloro-8-methoxybenzo[c]chromen-6-one

3-chloro-8-methoxybenzo[c]chromen-6-one (PubChem CID 164598037) has the molecular formula C14H9ClO3 and a molecular weight of 260.68 g/mol. Its IUPAC name is 3-chloro-8-methoxybenzo[c]chromen-6-one.

Molecular Properties

Compound Name3-chloro-8-methoxybenzo[c]chromen-6-one
PubChem CID164598037
Molecular FormulaC14H9ClO3
Molecular Weight260.68 g/mol
Exact Mass260.02
IUPAC Name3-chloro-8-methoxybenzo[c]chromen-6-one
SMILESCOc1ccc2c(c1)c(=O)oc1cc(Cl)ccc12
InChIInChI=1S/C14H9ClO3/c1-17-9-3-5-10-11-4-2-8(15)6-13(11)18-14(16)12(10)7-9/h2-7H,1H3
InChIKeyQGIBNAWKRHGUSD-UHFFFAOYSA-N
XLogP3.61
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 53.61
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

2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one
CID 167583154
8-methoxy-6-oxobenzo[c]chromene-3-carbaldehyde
CID 14104558
8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 1347567
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
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxypropanoic acid
CID 2906441
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide
CID 175862262
3-(3,3-dimethyl-2-oxobutoxy)-8-methoxybenzo[c]chromen-6-one
CID 1332673
3-(4-chloro-2-methoxyphenyl)-7-methoxy-4-methylchromen-2-one
CID 118183882
ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 4914742
7-methoxy-4-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),5(10),6,8,12,15,17,19,21-decaen-3-one
CID 118617487
N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 1072484
3-[4-(diethylamino)butoxy]-8-methoxybenzo[c]chromen-6-one
CID 169099666

Frequently Asked Questions

What is the IUPAC name of 3-chloro-8-methoxybenzo[c]chromen-6-one?
The IUPAC name of 3-chloro-8-methoxybenzo[c]chromen-6-one (CID 164598037) is 3-chloro-8-methoxybenzo[c]chromen-6-one.
What is the SMILES notation for 3-chloro-8-methoxybenzo[c]chromen-6-one?
The canonical SMILES for 3-chloro-8-methoxybenzo[c]chromen-6-one is COc1ccc2c(c1)c(=O)oc1cc(Cl)ccc12.
What is the InChIKey of 3-chloro-8-methoxybenzo[c]chromen-6-one?
The InChIKey is QGIBNAWKRHGUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO3/c1-17-9-3-5-10-11-4-2-8(15)6-13(11)18-14(16)12(10)7-9/h2-7H,1H3.
What are the key properties of 3-chloro-8-methoxybenzo[c]chromen-6-one?
3-chloro-8-methoxybenzo[c]chromen-6-one has a molecular weight of 260.68 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-methoxybenzo[c]chromen-6-one is sourced from PubChem (CID 164598037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).