[3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromen-8-yl]-phenylmethanone

C33H23FO3 — CID 3448509

IUPAC[3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromen-8-yl]-phenylmethanone
SMILESCOc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4cc(C(=O)c5ccccc5)ccc34)O2)cc1
InChIInChI=1S/C33H23FO3/c1-36-26-15-13-25(14-16-26)33(29-9-5-6-10-30(29)34)20-19-28-27-17-11-24(21-23(27)12-18-31(28)37-33)32(35)22-7-3-2-4-8-22/h2-21H,1H3
InChIKeyMFDXDUNHXQAYCU-UHFFFAOYSA-N
MW486.54 g/mol
LogP7.57
Rot. Bonds5

About [3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromen-8-yl]-phenylmethanone

[3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromen-8-yl]-phenylmethanone (PubChem CID 3448509) has the molecular formula C33H23FO3 and a molecular weight of 486.54 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromen-8-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromen-8-yl]-phenylmethanone
PubChem CID3448509
Molecular FormulaC33H23FO3
Molecular Weight486.54 g/mol
Exact Mass486.16
IUPAC Name[3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromen-8-yl]-phenylmethanone
SMILESCOc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4cc(C(=O)c5ccccc5)ccc34)O2)cc1
InChIInChI=1S/C33H23FO3/c1-36-26-15-13-25(14-16-26)33(29-9-5-6-10-30(29)34)20-19-28-27-17-11-24(21-23(27)12-18-31(28)37-33)32(35)22-7-3-2-4-8-22/h2-21H,1H3
InChIKeyMFDXDUNHXQAYCU-UHFFFAOYSA-N
XLogP7.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.54
LogP ≤ 57.57
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
8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene
CID 15333406
3-(2-fluorophenyl)-3-(4-methoxyphenyl)-[1]benzofuro[3,2-f]chromene
CID 3124844
8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene
CID 139692008
8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene
CID 15331134
4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline
CID 23363453
3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 18916131
[5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine
CID 174396690
spiro[benzo[f]chromene-3,9'-fluorene]-8-yl trifluoromethanesulfonate
CID 101359754
methyl 2-(2-fluorophenyl)-9-methoxy-6-methyl-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate
CID 22895158
(3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene
CID 102063385
[6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone
CID 11204032

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromen-8-yl]-phenylmethanone?
The IUPAC name of [3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromen-8-yl]-phenylmethanone (CID 3448509) is [3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromen-8-yl]-phenylmethanone.
What is the SMILES notation for [3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromen-8-yl]-phenylmethanone?
The canonical SMILES for [3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromen-8-yl]-phenylmethanone is COc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4cc(C(=O)c5ccccc5)ccc34)O2)cc1.
What is the InChIKey of [3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromen-8-yl]-phenylmethanone?
The InChIKey is MFDXDUNHXQAYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23FO3/c1-36-26-15-13-25(14-16-26)33(29-9-5-6-10-30(29)34)20-19-28-27-17-11-24(21-23(27)12-18-31(28)37-33)32(35)22-7-3-2-4-8-22/h2-21H,1H3.
What are the key properties of [3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromen-8-yl]-phenylmethanone?
[3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromen-8-yl]-phenylmethanone has a molecular weight of 486.54 g/mol, XLogP of 7.57, 5 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)benzo[f]chromen-8-yl]-phenylmethanone is sourced from PubChem (CID 3448509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).