4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one

C22H24O6 — CID 1325534

IUPAC4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3cc(OC)c(OC)c(OC)c3)ccc12
InChIInChI=1S/C22H24O6/c1-5-6-15-11-21(23)28-18-12-16(7-8-17(15)18)27-13-14-9-19(24-2)22(26-4)20(10-14)25-3/h7-12H,5-6,13H2,1-4H3
InChIKeySARPVAGKTSRDNX-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.35
Rot. Bonds8

About 4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one

4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one (PubChem CID 1325534) has the molecular formula C22H24O6 and a molecular weight of 384.43 g/mol. Its IUPAC name is 4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one.

Molecular Properties

Compound Name4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one
PubChem CID1325534
Molecular FormulaC22H24O6
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Name4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3cc(OC)c(OC)c(OC)c3)ccc12
InChIInChI=1S/C22H24O6/c1-5-6-15-11-21(23)28-18-12-16(7-8-17(15)18)27-13-14-9-19(24-2)22(26-4)20(10-14)25-3/h7-12H,5-6,13H2,1-4H3
InChIKeySARPVAGKTSRDNX-UHFFFAOYSA-N
XLogP4.35
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one
CID 22310572
7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one
CID 7917681
7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one
CID 46583293
7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one
CID 7917685
(7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 4693748
(7-methoxy-2-oxochromen-4-yl)methyl 3,4,5-trimethoxybenzoate
CID 3971708
7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one
CID 886164
(2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate
CID 7923747
4-propyl-7-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methoxy]chromen-2-one
CID 46933173
7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one
CID 23763929
7-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-4-propylchromen-2-one
CID 38916991
7-(3-but-1-en-2-yloxypropoxy)-4-propylchromen-2-one
CID 88940715

Frequently Asked Questions

What is the IUPAC name of 4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one?
The IUPAC name of 4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one (CID 1325534) is 4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one.
What is the SMILES notation for 4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one?
The canonical SMILES for 4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one is CCCc1cc(=O)oc2cc(OCc3cc(OC)c(OC)c(OC)c3)ccc12.
What is the InChIKey of 4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one?
The InChIKey is SARPVAGKTSRDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O6/c1-5-6-15-11-21(23)28-18-12-16(7-8-17(15)18)27-13-14-9-19(24-2)22(26-4)20(10-14)25-3/h7-12H,5-6,13H2,1-4H3.
What are the key properties of 4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one?
4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one has a molecular weight of 384.43 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one is sourced from PubChem (CID 1325534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).