6-chloro-7-[(3-methoxyphenyl)methoxy]-4-propylchromen-2-one

C20H19ClO4 — CID 1330216

IUPAC6-chloro-7-[(3-methoxyphenyl)methoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3cccc(OC)c3)c(Cl)cc12
InChIInChI=1S/C20H19ClO4/c1-3-5-14-9-20(22)25-18-11-19(17(21)10-16(14)18)24-12-13-6-4-7-15(8-13)23-2/h4,6-11H,3,5,12H2,1-2H3
InChIKeyGMOGJPWPYQNTKO-UHFFFAOYSA-N
MW358.82 g/mol
LogP4.99
Rot. Bonds6

About 6-chloro-7-[(3-methoxyphenyl)methoxy]-4-propylchromen-2-one

6-chloro-7-[(3-methoxyphenyl)methoxy]-4-propylchromen-2-one (PubChem CID 1330216) has the molecular formula C20H19ClO4 and a molecular weight of 358.82 g/mol. Its IUPAC name is 6-chloro-7-[(3-methoxyphenyl)methoxy]-4-propylchromen-2-one.

Molecular Properties

Compound Name6-chloro-7-[(3-methoxyphenyl)methoxy]-4-propylchromen-2-one
PubChem CID1330216
Molecular FormulaC20H19ClO4
Molecular Weight358.82 g/mol
Exact Mass358.10
IUPAC Name6-chloro-7-[(3-methoxyphenyl)methoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3cccc(OC)c3)c(Cl)cc12
InChIInChI=1S/C20H19ClO4/c1-3-5-14-9-20(22)25-18-11-19(17(21)10-16(14)18)24-12-13-6-4-7-15(8-13)23-2/h4,6-11H,3,5,12H2,1-2H3
InChIKeyGMOGJPWPYQNTKO-UHFFFAOYSA-N
XLogP4.99
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.82
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[(3-methoxyphenyl)methoxy]-4-propylchromen-2-one?
The IUPAC name of 6-chloro-7-[(3-methoxyphenyl)methoxy]-4-propylchromen-2-one (CID 1330216) is 6-chloro-7-[(3-methoxyphenyl)methoxy]-4-propylchromen-2-one.
What is the SMILES notation for 6-chloro-7-[(3-methoxyphenyl)methoxy]-4-propylchromen-2-one?
The canonical SMILES for 6-chloro-7-[(3-methoxyphenyl)methoxy]-4-propylchromen-2-one is CCCc1cc(=O)oc2cc(OCc3cccc(OC)c3)c(Cl)cc12.
What is the InChIKey of 6-chloro-7-[(3-methoxyphenyl)methoxy]-4-propylchromen-2-one?
The InChIKey is GMOGJPWPYQNTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClO4/c1-3-5-14-9-20(22)25-18-11-19(17(21)10-16(14)18)24-12-13-6-4-7-15(8-13)23-2/h4,6-11H,3,5,12H2,1-2H3.
What are the key properties of 6-chloro-7-[(3-methoxyphenyl)methoxy]-4-propylchromen-2-one?
6-chloro-7-[(3-methoxyphenyl)methoxy]-4-propylchromen-2-one has a molecular weight of 358.82 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[(3-methoxyphenyl)methoxy]-4-propylchromen-2-one is sourced from PubChem (CID 1330216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).