3-methyl-3-phenylbenzo[f]chromene

C20H16O — CID 10849806

IUPAC3-methyl-3-phenylbenzo[f]chromene
SMILESCC1(c2ccccc2)C=Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C20H16O/c1-20(16-8-3-2-4-9-16)14-13-18-17-10-6-5-7-15(17)11-12-19(18)21-20/h2-14H,1H3
InChIKeyXCNYJAYOLCIFIP-UHFFFAOYSA-N
MW272.35 g/mol
LogP5.16
Rot. Bonds1

About 3-methyl-3-phenylbenzo[f]chromene

3-methyl-3-phenylbenzo[f]chromene (PubChem CID 10849806) has the molecular formula C20H16O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-methyl-3-phenylbenzo[f]chromene.

Molecular Properties

Compound Name3-methyl-3-phenylbenzo[f]chromene
PubChem CID10849806
Molecular FormulaC20H16O
Molecular Weight272.35 g/mol
Exact Mass272.12
IUPAC Name3-methyl-3-phenylbenzo[f]chromene
SMILESCC1(c2ccccc2)C=Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C20H16O/c1-20(16-8-3-2-4-9-16)14-13-18-17-10-6-5-7-15(17)11-12-19(18)21-20/h2-14H,1H3
InChIKeyXCNYJAYOLCIFIP-UHFFFAOYSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.35
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene]
CID 22084982
CID 10527161
CID 10527161
(3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene
CID 102063385
1-ethenyl-3-methyl-3-phenylbenzo[f]chromene
CID 102490161
2-methoxy-3,3-diphenylbenzo[f]chromene
CID 69344279
3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene
CID 71346281
5-(3-phenylbenzo[f]chromen-3-yl)-2,3-dihydro-1H-indole
CID 19378311
3-phenyl-3-[(E)-2-thiophen-2-ylethenyl]benzo[f]chromene
CID 19733871
1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole]
CID 3740164
2-(4-methoxyphenyl)-2-methylbenzo[h]chromene
CID 15650046
1-phenyl-1-[4-(3-phenylbenzo[f]chromen-3-yl)phenyl]prop-2-yn-1-ol
CID 101377668
4',7'-dimethoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
CID 19084237

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenylbenzo[f]chromene?
The IUPAC name of 3-methyl-3-phenylbenzo[f]chromene (CID 10849806) is 3-methyl-3-phenylbenzo[f]chromene.
What is the SMILES notation for 3-methyl-3-phenylbenzo[f]chromene?
The canonical SMILES for 3-methyl-3-phenylbenzo[f]chromene is CC1(c2ccccc2)C=Cc2c(ccc3ccccc23)O1.
What is the InChIKey of 3-methyl-3-phenylbenzo[f]chromene?
The InChIKey is XCNYJAYOLCIFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O/c1-20(16-8-3-2-4-9-16)14-13-18-17-10-6-5-7-15(17)11-12-19(18)21-20/h2-14H,1H3.
What are the key properties of 3-methyl-3-phenylbenzo[f]chromene?
3-methyl-3-phenylbenzo[f]chromene has a molecular weight of 272.35 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenylbenzo[f]chromene is sourced from PubChem (CID 10849806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).