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

C35H29FO2 — CID 21361925

IUPAC3-(2-fluorophenyl)-3-(4-methoxyphenyl)-8-(2-phenylpropan-2-yl)benzo[f]chromene
SMILESCOc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4cc(C(C)(C)c5ccccc5)ccc34)O2)cc1
InChIInChI=1S/C35H29FO2/c1-34(2,25-9-5-4-6-10-25)27-16-19-29-24(23-27)13-20-33-30(29)21-22-35(38-33,31-11-7-8-12-32(31)36)26-14-17-28(37-3)18-15-26/h4-23H,1-3H3
InChIKeyGDOQHKAHKHSYTE-UHFFFAOYSA-N
MW500.61 g/mol
LogP8.66
Rot. Bonds5

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

3-(2-fluorophenyl)-3-(4-methoxyphenyl)-8-(2-phenylpropan-2-yl)benzo[f]chromene (PubChem CID 21361925) has the molecular formula C35H29FO2 and a molecular weight of 500.61 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-8-(2-phenylpropan-2-yl)benzo[f]chromene.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-(4-methoxyphenyl)-8-(2-phenylpropan-2-yl)benzo[f]chromene
PubChem CID21361925
Molecular FormulaC35H29FO2
Molecular Weight500.61 g/mol
Exact Mass500.22
IUPAC Name3-(2-fluorophenyl)-3-(4-methoxyphenyl)-8-(2-phenylpropan-2-yl)benzo[f]chromene
SMILESCOc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4cc(C(C)(C)c5ccccc5)ccc34)O2)cc1
InChIInChI=1S/C35H29FO2/c1-34(2,25-9-5-4-6-10-25)27-16-19-29-24(23-27)13-20-33-30(29)21-22-35(38-33,31-11-7-8-12-32(31)36)26-14-17-28(37-3)18-15-26/h4-23H,1-3H3
InChIKeyGDOQHKAHKHSYTE-UHFFFAOYSA-N
XLogP8.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.61
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
Tectol
CID 161453
Multicaulin
CID 467782
2-Methoxy-1-[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 96091
2,8-Dimethylnaphtho[3,2,1-kl]xanthene
CID 5052385
3H-Naphtho[2,1-b]pyran, 3,3-diphenyl-
CID 3104870
14-propyl-14H-dibenzo[a,j]xanthene
CID 277509
1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-((2-methylnaphthalen-1-yl)methyl)pentan-2-ol
CID 10127269
1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-2-ylmethyl)pentan-2-ol
CID 10194607
1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-((4-methylnaphthalen-1-yl)methyl)pentan-2-ol
CID 10216697
1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-1-ylmethyl)pentan-2-ol
CID 10287863
4-Methoxy-4-[2-methyl-3-(naphthalen-2-ylmethoxy)-phenyl]-tetrahydro-pyran
CID 14985900

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-8-(2-phenylpropan-2-yl)benzo[f]chromene?
The IUPAC name of 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-8-(2-phenylpropan-2-yl)benzo[f]chromene (CID 21361925) is 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-8-(2-phenylpropan-2-yl)benzo[f]chromene.
What is the SMILES notation for 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-8-(2-phenylpropan-2-yl)benzo[f]chromene?
The canonical SMILES for 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-8-(2-phenylpropan-2-yl)benzo[f]chromene is COc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4cc(C(C)(C)c5ccccc5)ccc34)O2)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-8-(2-phenylpropan-2-yl)benzo[f]chromene?
The InChIKey is GDOQHKAHKHSYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29FO2/c1-34(2,25-9-5-4-6-10-25)27-16-19-29-24(23-27)13-20-33-30(29)21-22-35(38-33,31-11-7-8-12-32(31)36)26-14-17-28(37-3)18-15-26/h4-23H,1-3H3.
What are the key properties of 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-8-(2-phenylpropan-2-yl)benzo[f]chromene?
3-(2-fluorophenyl)-3-(4-methoxyphenyl)-8-(2-phenylpropan-2-yl)benzo[f]chromene has a molecular weight of 500.61 g/mol, XLogP of 8.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-8-(2-phenylpropan-2-yl)benzo[f]chromene is sourced from PubChem (CID 21361925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).