3-chloro-5-methoxychromen-2-one

C10H7ClO3 — CID 165356903

IUPAC3-chloro-5-methoxychromen-2-one
SMILESCOc1cccc2oc(=O)c(Cl)cc12
InChIInChI=1S/C10H7ClO3/c1-13-8-3-2-4-9-6(8)5-7(11)10(12)14-9/h2-5H,1H3
InChIKeyFKTGKGSCASATKG-UHFFFAOYSA-N
MW210.62 g/mol
LogP2.45
Rot. Bonds1

About 3-chloro-5-methoxychromen-2-one

3-chloro-5-methoxychromen-2-one (PubChem CID 165356903) has the molecular formula C10H7ClO3 and a molecular weight of 210.62 g/mol. Its IUPAC name is 3-chloro-5-methoxychromen-2-one.

Molecular Properties

Compound Name3-chloro-5-methoxychromen-2-one
PubChem CID165356903
Molecular FormulaC10H7ClO3
Molecular Weight210.62 g/mol
Exact Mass210.01
IUPAC Name3-chloro-5-methoxychromen-2-one
SMILESCOc1cccc2oc(=O)c(Cl)cc12
InChIInChI=1S/C10H7ClO3/c1-13-8-3-2-4-9-6(8)5-7(11)10(12)14-9/h2-5H,1H3
InChIKeyFKTGKGSCASATKG-UHFFFAOYSA-N
XLogP2.45
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(5-methoxy-2-oxochromen-3-yl)ethane-1,2-dione
CID 87234772
3,4,5-trimethoxychromen-2-one
CID 19930053
1-(4-methoxy-1-benzofuran-2-yl)ethanone
CID 3042306
2-chloro-8,9-dimethoxybenzo[c]chromen-6-one
CID 164686324
3,4-dichloro-8-methoxychromen-2-one
CID 12521868
5-methoxy-3-[4-(4-methoxyphenyl)-2-oxobut-3-enyl]sulfonylchromen-2-one
CID 91398577
(4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114321301
2-(3,4-dichlorophenyl)-5-methoxychromen-4-one
CID 10041721
4-(4-methoxy-1-benzofuran-2-yl)-1-methylpiperidine
CID 19709996
1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione
CID 139586019
CID 57455647
CID 57455647
9-methoxy-7,8-diphenylnaphtho[2,1-c]chromen-6-one
CID 166440625

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxychromen-2-one?
The IUPAC name of 3-chloro-5-methoxychromen-2-one (CID 165356903) is 3-chloro-5-methoxychromen-2-one.
What is the SMILES notation for 3-chloro-5-methoxychromen-2-one?
The canonical SMILES for 3-chloro-5-methoxychromen-2-one is COc1cccc2oc(=O)c(Cl)cc12.
What is the InChIKey of 3-chloro-5-methoxychromen-2-one?
The InChIKey is FKTGKGSCASATKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO3/c1-13-8-3-2-4-9-6(8)5-7(11)10(12)14-9/h2-5H,1H3.
What are the key properties of 3-chloro-5-methoxychromen-2-one?
3-chloro-5-methoxychromen-2-one has a molecular weight of 210.62 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxychromen-2-one is sourced from PubChem (CID 165356903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).