3-(2-fluorophenyl)-8-methoxy-3-(4-methoxyphenyl)benzo[f]chromene

C27H21FO3 — CID 3104876

IUPAC3-(2-fluorophenyl)-8-methoxy-3-(4-methoxyphenyl)benzo[f]chromene
SMILESCOc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4cc(OC)ccc34)O2)cc1
InChIInChI=1S/C27H21FO3/c1-29-20-10-8-19(9-11-20)27(24-5-3-4-6-25(24)28)16-15-23-22-13-12-21(30-2)17-18(22)7-14-26(23)31-27/h3-17H,1-2H3
InChIKeyWKYMAEGRRCJZRP-UHFFFAOYSA-N
MW412.46 g/mol
LogP6.35
Rot. Bonds4

About 3-(2-fluorophenyl)-8-methoxy-3-(4-methoxyphenyl)benzo[f]chromene

3-(2-fluorophenyl)-8-methoxy-3-(4-methoxyphenyl)benzo[f]chromene (PubChem CID 3104876) has the molecular formula C27H21FO3 and a molecular weight of 412.46 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-8-methoxy-3-(4-methoxyphenyl)benzo[f]chromene.

Molecular Properties

Compound Name3-(2-fluorophenyl)-8-methoxy-3-(4-methoxyphenyl)benzo[f]chromene
PubChem CID3104876
Molecular FormulaC27H21FO3
Molecular Weight412.46 g/mol
Exact Mass412.15
IUPAC Name3-(2-fluorophenyl)-8-methoxy-3-(4-methoxyphenyl)benzo[f]chromene
SMILESCOc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4cc(OC)ccc34)O2)cc1
InChIInChI=1S/C27H21FO3/c1-29-20-10-8-19(9-11-20)27(24-5-3-4-6-25(24)28)16-15-23-22-13-12-21(30-2)17-18(22)7-14-26(23)31-27/h3-17H,1-2H3
InChIKeyWKYMAEGRRCJZRP-UHFFFAOYSA-N
XLogP6.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-8-methoxy-3-(4-methoxyphenyl)benzo[f]chromene?
The IUPAC name of 3-(2-fluorophenyl)-8-methoxy-3-(4-methoxyphenyl)benzo[f]chromene (CID 3104876) is 3-(2-fluorophenyl)-8-methoxy-3-(4-methoxyphenyl)benzo[f]chromene.
What is the SMILES notation for 3-(2-fluorophenyl)-8-methoxy-3-(4-methoxyphenyl)benzo[f]chromene?
The canonical SMILES for 3-(2-fluorophenyl)-8-methoxy-3-(4-methoxyphenyl)benzo[f]chromene is COc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4cc(OC)ccc34)O2)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-8-methoxy-3-(4-methoxyphenyl)benzo[f]chromene?
The InChIKey is WKYMAEGRRCJZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FO3/c1-29-20-10-8-19(9-11-20)27(24-5-3-4-6-25(24)28)16-15-23-22-13-12-21(30-2)17-18(22)7-14-26(23)31-27/h3-17H,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-8-methoxy-3-(4-methoxyphenyl)benzo[f]chromene?
3-(2-fluorophenyl)-8-methoxy-3-(4-methoxyphenyl)benzo[f]chromene has a molecular weight of 412.46 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-8-methoxy-3-(4-methoxyphenyl)benzo[f]chromene is sourced from PubChem (CID 3104876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).