3-(4-chlorophenyl)-7-[(4-ethenylphenyl)methoxy]-2-methylchromen-4-one

C25H19ClO3 — CID 2007357

IUPAC3-(4-chlorophenyl)-7-[(4-ethenylphenyl)methoxy]-2-methylchromen-4-one
SMILESC=Cc1ccc(COc2ccc3c(=O)c(-c4ccc(Cl)cc4)c(C)oc3c2)cc1
InChIInChI=1S/C25H19ClO3/c1-3-17-4-6-18(7-5-17)15-28-21-12-13-22-23(14-21)29-16(2)24(25(22)27)19-8-10-20(26)11-9-19/h3-14H,1,15H2,2H3
InChIKeyATTAWFUGHKNCBN-UHFFFAOYSA-N
MW402.88 g/mol
LogP6.64
Rot. Bonds5

About 3-(4-chlorophenyl)-7-[(4-ethenylphenyl)methoxy]-2-methylchromen-4-one

3-(4-chlorophenyl)-7-[(4-ethenylphenyl)methoxy]-2-methylchromen-4-one (PubChem CID 2007357) has the molecular formula C25H19ClO3 and a molecular weight of 402.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-[(4-ethenylphenyl)methoxy]-2-methylchromen-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-[(4-ethenylphenyl)methoxy]-2-methylchromen-4-one
PubChem CID2007357
Molecular FormulaC25H19ClO3
Molecular Weight402.88 g/mol
Exact Mass402.10
IUPAC Name3-(4-chlorophenyl)-7-[(4-ethenylphenyl)methoxy]-2-methylchromen-4-one
SMILESC=Cc1ccc(COc2ccc3c(=O)c(-c4ccc(Cl)cc4)c(C)oc3c2)cc1
InChIInChI=1S/C25H19ClO3/c1-3-17-4-6-18(7-5-17)15-28-21-12-13-22-23(14-21)29-16(2)24(25(22)27)19-8-10-20(26)11-9-19/h3-14H,1,15H2,2H3
InChIKeyATTAWFUGHKNCBN-UHFFFAOYSA-N
XLogP6.64
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.88
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one
CID 1301143
7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one
CID 2016693
7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one
CID 5025590
3-(4-bromophenyl)-7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-methylchromen-4-one
CID 163167473
7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one
CID 44963440
3-(4-bromophenyl)-7-[(2-chlorophenyl)methoxy]-2-methylchromen-4-one
CID 4627336
3-(4-chlorophenyl)-4-methyl-7-[(4-nitrophenyl)methoxy]chromen-2-one
CID 44963498
2-[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide
CID 41118398
[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl] 2-(phenylmethoxycarbonylamino)propanoate
CID 4202898
[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl] 2-chlorobenzoate
CID 2014694
[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl] 4-tert-butylbenzoate
CID 2013877
2-[3-(4-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 6955021

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-[(4-ethenylphenyl)methoxy]-2-methylchromen-4-one?
The IUPAC name of 3-(4-chlorophenyl)-7-[(4-ethenylphenyl)methoxy]-2-methylchromen-4-one (CID 2007357) is 3-(4-chlorophenyl)-7-[(4-ethenylphenyl)methoxy]-2-methylchromen-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-7-[(4-ethenylphenyl)methoxy]-2-methylchromen-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-7-[(4-ethenylphenyl)methoxy]-2-methylchromen-4-one is C=Cc1ccc(COc2ccc3c(=O)c(-c4ccc(Cl)cc4)c(C)oc3c2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-7-[(4-ethenylphenyl)methoxy]-2-methylchromen-4-one?
The InChIKey is ATTAWFUGHKNCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClO3/c1-3-17-4-6-18(7-5-17)15-28-21-12-13-22-23(14-21)29-16(2)24(25(22)27)19-8-10-20(26)11-9-19/h3-14H,1,15H2,2H3.
What are the key properties of 3-(4-chlorophenyl)-7-[(4-ethenylphenyl)methoxy]-2-methylchromen-4-one?
3-(4-chlorophenyl)-7-[(4-ethenylphenyl)methoxy]-2-methylchromen-4-one has a molecular weight of 402.88 g/mol, XLogP of 6.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-[(4-ethenylphenyl)methoxy]-2-methylchromen-4-one is sourced from PubChem (CID 2007357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).