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

C25H22O5 — CID 1301143

IUPAC3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one
SMILESCOc1ccc(COc2ccc3c(=O)c(-c4ccc(OC)cc4)c(C)oc3c2)cc1
InChIInChI=1S/C25H22O5/c1-16-24(18-6-10-20(28-3)11-7-18)25(26)22-13-12-21(14-23(22)30-16)29-15-17-4-8-19(27-2)9-5-17/h4-14H,15H2,1-3H3
InChIKeyBORLLRQYTIRZLE-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.36
Rot. Bonds6

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

3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one (PubChem CID 1301143) has the molecular formula C25H22O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one
PubChem CID1301143
Molecular FormulaC25H22O5
Molecular Weight402.45 g/mol
Exact Mass402.15
IUPAC Name3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one
SMILESCOc1ccc(COc2ccc3c(=O)c(-c4ccc(OC)cc4)c(C)oc3c2)cc1
InChIInChI=1S/C25H22O5/c1-16-24(18-6-10-20(28-3)11-7-18)25(26)22-13-12-21(14-23(22)30-16)29-15-17-4-8-19(27-2)9-5-17/h4-14H,15H2,1-3H3
InChIKeyBORLLRQYTIRZLE-UHFFFAOYSA-N
XLogP5.36
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one
CID 2016693
3-(4-chlorophenyl)-7-[(4-ethenylphenyl)methoxy]-2-methylchromen-4-one
CID 2007357
3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one
CID 44963741
3-(4-bromophenyl)-7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-methylchromen-4-one
CID 163167473
7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one
CID 5025590
7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one
CID 44963440
8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 1347567
3-(4-bromophenyl)-7-[(2-chlorophenyl)methoxy]-2-methylchromen-4-one
CID 4627336
6-hydroxy-3-(4-methoxyphenyl)-2,7-dimethylchromen-4-one
CID 13443565
2-[3-(4-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 6955021
2-[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetamide
CID 1309838
2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 10619458

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one (CID 1301143) is 3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one is COc1ccc(COc2ccc3c(=O)c(-c4ccc(OC)cc4)c(C)oc3c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one?
The InChIKey is BORLLRQYTIRZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O5/c1-16-24(18-6-10-20(28-3)11-7-18)25(26)22-13-12-21(14-23(22)30-16)29-15-17-4-8-19(27-2)9-5-17/h4-14H,15H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one?
3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one has a molecular weight of 402.45 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one is sourced from PubChem (CID 1301143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).