3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene

C28H24O4 — CID 18916131

IUPAC3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene
SMILESCOc1ccc(C2(c3ccc(OC)cc3OC)C=Cc3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C28H24O4/c1-29-21-11-9-20(10-12-21)28(25-14-13-22(30-2)18-27(25)31-3)17-16-24-23-7-5-4-6-19(23)8-15-26(24)32-28/h4-18H,1-3H3
InChIKeyRYFLZEOSKXKUEA-UHFFFAOYSA-N
MW424.50 g/mol
LogP6.22
Rot. Bonds5

About 3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene

3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene (PubChem CID 18916131) has the molecular formula C28H24O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene
PubChem CID18916131
Molecular FormulaC28H24O4
Molecular Weight424.50 g/mol
Exact Mass424.17
IUPAC Name3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene
SMILESCOc1ccc(C2(c3ccc(OC)cc3OC)C=Cc3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C28H24O4/c1-29-21-11-9-20(10-12-21)28(25-14-13-22(30-2)18-27(25)31-3)17-16-24-23-7-5-4-6-19(23)8-15-26(24)32-28/h4-18H,1-3H3
InChIKeyRYFLZEOSKXKUEA-UHFFFAOYSA-N
XLogP6.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 3104875
8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene
CID 139692008
(3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene
CID 102063385
8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene
CID 15333406
3,10-bis(4-butoxy-2-methoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene
CID 178181948
3,10-bis(4-methoxy-2-propoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene
CID 178181950
8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene
CID 15331134
7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]
CID 19084318
4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline
CID 23363453
2-[3-(4-methoxy-2-methylphenyl)benzo[f]chromen-3-yl]-1-methylpyrrole
CID 69101584
4,4,17,17-tetrakis(4-methoxyphenyl)-3,18-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8,10,12,15-heptaene
CID 4316919
[5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine
CID 174396690

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene (CID 18916131) is 3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene is COc1ccc(C2(c3ccc(OC)cc3OC)C=Cc3c(ccc4ccccc34)O2)cc1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene?
The InChIKey is RYFLZEOSKXKUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O4/c1-29-21-11-9-20(10-12-21)28(25-14-13-22(30-2)18-27(25)31-3)17-16-24-23-7-5-4-6-19(23)8-15-26(24)32-28/h4-18H,1-3H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene?
3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene has a molecular weight of 424.50 g/mol, XLogP of 6.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene is sourced from PubChem (CID 18916131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).