[2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

C31H24O6 — CID 19171238

IUPAC[2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCOc1cc(/C=C/c2cccc3ccccc23)ccc1OC(=O)COc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C31H24O6/c1-20-16-30(32)37-28-18-24(13-14-25(20)28)35-19-31(33)36-27-15-11-21(17-29(27)34-2)10-12-23-8-5-7-22-6-3-4-9-26(22)23/h3-18H,19H2,1-2H3/b12-10+
InChIKeyHBIFKBRMZCJCCP-ZRDIBKRKSA-N
MW492.53 g/mol
LogP6.42
Rot. Bonds7

About [2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

[2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (PubChem CID 19171238) has the molecular formula C31H24O6 and a molecular weight of 492.53 g/mol. Its IUPAC name is [2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.

Molecular Properties

Compound Name[2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
PubChem CID19171238
Molecular FormulaC31H24O6
Molecular Weight492.53 g/mol
Exact Mass492.16
IUPAC Name[2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCOc1cc(/C=C/c2cccc3ccccc23)ccc1OC(=O)COc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C31H24O6/c1-20-16-30(32)37-28-18-24(13-14-25(20)28)35-19-31(33)36-27-15-11-21(17-29(27)34-2)10-12-23-8-5-7-22-6-3-4-9-26(22)23/h3-18H,19H2,1-2H3/b12-10+
InChIKeyHBIFKBRMZCJCCP-ZRDIBKRKSA-N
XLogP6.42
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.53
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate 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

[4-[(Z)-2-cyanoethenyl]-2-methoxyphenyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 19227439
[2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-chloro-3,5-dimethylphenoxy)acetate
CID 19171250
[2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-phenylphenoxy)acetate
CID 19171263
(2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7934790
(8-acetyl-4-methyl-2-oxochromen-7-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 19172544
(4-methyl-2-oxochromen-7-yl) (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 19172103
(3,4-dimethylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9097338
(4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7909541
(2,4-dichlorophenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 8778362
(4-acetylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7741120
[2-methoxy-4-[(E)-2-phenylethenyl]phenyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 19171202
(4-methyl-2-oxochromen-7-yl) 2-(3-acetamidophenoxy)acetate
CID 18870058

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The IUPAC name of [2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (CID 19171238) is [2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.
What is the SMILES notation for [2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The canonical SMILES for [2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is COc1cc(/C=C/c2cccc3ccccc23)ccc1OC(=O)COc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of [2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The InChIKey is HBIFKBRMZCJCCP-ZRDIBKRKSA-N. The full InChI is InChI=1S/C31H24O6/c1-20-16-30(32)37-28-18-24(13-14-25(20)28)35-19-31(33)36-27-15-11-21(17-29(27)34-2)10-12-23-8-5-7-22-6-3-4-9-26(22)23/h3-18H,19H2,1-2H3/b12-10+.
What are the key properties of [2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
[2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate has a molecular weight of 492.53 g/mol, XLogP of 6.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is sourced from PubChem (CID 19171238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).