3-(2-fluorophenyl)-3-(4-methoxyphenyl)-[1]benzofuro[3,2-f]chromene

C28H19FO3 — CID 3124844

IUPAC3-(2-fluorophenyl)-3-(4-methoxyphenyl)-[1]benzofuro[3,2-f]chromene
SMILESCOc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4oc5ccccc5c34)O2)cc1
InChIInChI=1S/C28H19FO3/c1-30-19-12-10-18(11-13-19)28(22-7-3-4-8-23(22)29)17-16-21-25(32-28)14-15-26-27(21)20-6-2-5-9-24(20)31-26/h2-17H,1H3
InChIKeyMCACPNYAXULDQA-UHFFFAOYSA-N
MW422.46 g/mol
LogP7.08
Rot. Bonds3

About 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-[1]benzofuro[3,2-f]chromene

3-(2-fluorophenyl)-3-(4-methoxyphenyl)-[1]benzofuro[3,2-f]chromene (PubChem CID 3124844) has the molecular formula C28H19FO3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-[1]benzofuro[3,2-f]chromene.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-(4-methoxyphenyl)-[1]benzofuro[3,2-f]chromene
PubChem CID3124844
Molecular FormulaC28H19FO3
Molecular Weight422.46 g/mol
Exact Mass422.13
IUPAC Name3-(2-fluorophenyl)-3-(4-methoxyphenyl)-[1]benzofuro[3,2-f]chromene
SMILESCOc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4oc5ccccc5c34)O2)cc1
InChIInChI=1S/C28H19FO3/c1-30-19-12-10-18(11-13-19)28(22-7-3-4-8-23(22)29)17-16-21-25(32-28)14-15-26-27(21)20-6-2-5-9-24(20)31-26/h2-17H,1H3
InChIKeyMCACPNYAXULDQA-UHFFFAOYSA-N
XLogP7.08
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.46
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 3104875
4-[3-[4-(dimethylamino)phenyl]-[1]benzofuro[3,2-f]chromen-3-yl]-N,N-dimethylaniline
CID 54105324
[3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromen-8-yl]-phenylmethanone
CID 3448509
4-(4-methoxyphenyl)-4-phenyl-3,21-dioxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),5,8,10,12,15,17,19-nonaene
CID 11510781
[5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine
CID 174396690
3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 18916131
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
5,5-bis(4-methoxyphenyl)-6,22-dioxapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-21-one
CID 15451135
4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline
CID 23363453
8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene
CID 15333406
8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene
CID 15331134
8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene
CID 139692008

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-[1]benzofuro[3,2-f]chromene?
The IUPAC name of 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-[1]benzofuro[3,2-f]chromene (CID 3124844) is 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-[1]benzofuro[3,2-f]chromene.
What is the SMILES notation for 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-[1]benzofuro[3,2-f]chromene?
The canonical SMILES for 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-[1]benzofuro[3,2-f]chromene is COc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4oc5ccccc5c34)O2)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-[1]benzofuro[3,2-f]chromene?
The InChIKey is MCACPNYAXULDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FO3/c1-30-19-12-10-18(11-13-19)28(22-7-3-4-8-23(22)29)17-16-21-25(32-28)14-15-26-27(21)20-6-2-5-9-24(20)31-26/h2-17H,1H3.
What are the key properties of 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-[1]benzofuro[3,2-f]chromene?
3-(2-fluorophenyl)-3-(4-methoxyphenyl)-[1]benzofuro[3,2-f]chromene has a molecular weight of 422.46 g/mol, XLogP of 7.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-[1]benzofuro[3,2-f]chromene is sourced from PubChem (CID 3124844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).