5,7-dimethoxy-3-(4-tetradecan-6-ylbenzoyl)chromen-2-one

C32H42O5 — CID 167410093

IUPAC5,7-dimethoxy-3-(4-tetradecan-6-ylbenzoyl)chromen-2-one
SMILESCCCCCCCCC(CCCCC)c1ccc(C(=O)c2cc3c(OC)cc(OC)cc3oc2=O)cc1
InChIInChI=1S/C32H42O5/c1-5-7-9-10-11-13-15-23(14-12-8-6-2)24-16-18-25(19-17-24)31(33)28-22-27-29(36-4)20-26(35-3)21-30(27)37-32(28)34/h16-23H,5-15H2,1-4H3
InChIKeyDNCOSPSLUMRBRD-UHFFFAOYSA-N
MW506.68 g/mol
LogP8.46
Rot. Bonds16

About 5,7-dimethoxy-3-(4-tetradecan-6-ylbenzoyl)chromen-2-one

5,7-dimethoxy-3-(4-tetradecan-6-ylbenzoyl)chromen-2-one (PubChem CID 167410093) has the molecular formula C32H42O5 and a molecular weight of 506.68 g/mol. Its IUPAC name is 5,7-dimethoxy-3-(4-tetradecan-6-ylbenzoyl)chromen-2-one.

Molecular Properties

Compound Name5,7-dimethoxy-3-(4-tetradecan-6-ylbenzoyl)chromen-2-one
PubChem CID167410093
Molecular FormulaC32H42O5
Molecular Weight506.68 g/mol
Exact Mass506.30
IUPAC Name5,7-dimethoxy-3-(4-tetradecan-6-ylbenzoyl)chromen-2-one
SMILESCCCCCCCCC(CCCCC)c1ccc(C(=O)c2cc3c(OC)cc(OC)cc3oc2=O)cc1
InChIInChI=1S/C32H42O5/c1-5-7-9-10-11-13-15-23(14-12-8-6-2)24-16-18-25(19-17-24)31(33)28-22-27-29(36-4)20-26(35-3)21-30(27)37-32(28)34/h16-23H,5-15H2,1-4H3
InChIKeyDNCOSPSLUMRBRD-UHFFFAOYSA-N
XLogP8.46
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.68
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,7-dimethoxy-3-(4-tetradecan-6-ylbenzoyl)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

ethane;methyl 3-[4-(5,7-dimethoxy-2-oxochromene-3-carbonyl)phenyl]propanoate
CID 142605306
3-(5,7-dimethoxy-2-oxochromene-3-carbonyl)-5-methoxy-2-oxochromene-7-carbaldehyde
CID 134251996
4-(2-oxo-5,7-dipropoxychromene-3-carbonyl)benzonitrile
CID 22320868
5,7-dimethoxy-N-(4-methylphenyl)-2-oxochromene-3-carboxamide
CID 11089072
5,7-dimethoxy-3-[(E)-3-methoxy-3-phenylprop-2-enoyl]chromen-2-one
CID 173186263
3-(4-isocyanobenzoyl)-5,7-di(propan-2-yloxy)chromen-2-one
CID 140842264
3-hexoxy-4-hydroxy-7-methoxychromen-2-one
CID 54694152
3-(4-butoxybenzoyl)-8-methoxychromen-2-one
CID 53353118
7-(diethylamino)-3-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carbonyl)-5-methoxychromen-2-one
CID 134912074
N-[2-(diethylamino)ethyl]-5,7-dimethoxy-2-oxochromene-3-carbothioamide
CID 10570787
6-(4-methoxyphenyl)hexadecan-8-one
CID 132549472
7,8-dimethoxy-3-(4-methoxybenzoyl)chromen-2-one
CID 154947659

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-3-(4-tetradecan-6-ylbenzoyl)chromen-2-one?
The IUPAC name of 5,7-dimethoxy-3-(4-tetradecan-6-ylbenzoyl)chromen-2-one (CID 167410093) is 5,7-dimethoxy-3-(4-tetradecan-6-ylbenzoyl)chromen-2-one.
What is the SMILES notation for 5,7-dimethoxy-3-(4-tetradecan-6-ylbenzoyl)chromen-2-one?
The canonical SMILES for 5,7-dimethoxy-3-(4-tetradecan-6-ylbenzoyl)chromen-2-one is CCCCCCCCC(CCCCC)c1ccc(C(=O)c2cc3c(OC)cc(OC)cc3oc2=O)cc1.
What is the InChIKey of 5,7-dimethoxy-3-(4-tetradecan-6-ylbenzoyl)chromen-2-one?
The InChIKey is DNCOSPSLUMRBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42O5/c1-5-7-9-10-11-13-15-23(14-12-8-6-2)24-16-18-25(19-17-24)31(33)28-22-27-29(36-4)20-26(35-3)21-30(27)37-32(28)34/h16-23H,5-15H2,1-4H3.
What are the key properties of 5,7-dimethoxy-3-(4-tetradecan-6-ylbenzoyl)chromen-2-one?
5,7-dimethoxy-3-(4-tetradecan-6-ylbenzoyl)chromen-2-one has a molecular weight of 506.68 g/mol, XLogP of 8.46, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-3-(4-tetradecan-6-ylbenzoyl)chromen-2-one is sourced from PubChem (CID 167410093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).