2-(2-ethenyl-5-hydroxyphenyl)-3-methyl-1-(4-phenylphenyl)-1H-benzo[f]chromen-9-ol

C34H26O3 — CID 155216305

IUPAC2-(2-ethenyl-5-hydroxyphenyl)-3-methyl-1-(4-phenylphenyl)-1H-benzo[f]chromen-9-ol
SMILESC=Cc1ccc(O)cc1C1=C(C)Oc2ccc3ccc(O)cc3c2C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C34H26O3/c1-3-22-13-16-27(35)19-29(22)32-21(2)37-31-18-15-25-14-17-28(36)20-30(25)34(31)33(32)26-11-9-24(10-12-26)23-7-5-4-6-8-23/h3-20,33,35-36H,1H2,2H3
InChIKeyMMWHOSDZIDEGRA-UHFFFAOYSA-N
MW482.58 g/mol
LogP8.52
Rot. Bonds4

About 2-(2-ethenyl-5-hydroxyphenyl)-3-methyl-1-(4-phenylphenyl)-1H-benzo[f]chromen-9-ol

2-(2-ethenyl-5-hydroxyphenyl)-3-methyl-1-(4-phenylphenyl)-1H-benzo[f]chromen-9-ol (PubChem CID 155216305) has the molecular formula C34H26O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-(2-ethenyl-5-hydroxyphenyl)-3-methyl-1-(4-phenylphenyl)-1H-benzo[f]chromen-9-ol.

Molecular Properties

Compound Name2-(2-ethenyl-5-hydroxyphenyl)-3-methyl-1-(4-phenylphenyl)-1H-benzo[f]chromen-9-ol
PubChem CID155216305
Molecular FormulaC34H26O3
Molecular Weight482.58 g/mol
Exact Mass482.19
IUPAC Name2-(2-ethenyl-5-hydroxyphenyl)-3-methyl-1-(4-phenylphenyl)-1H-benzo[f]chromen-9-ol
SMILESC=Cc1ccc(O)cc1C1=C(C)Oc2ccc3ccc(O)cc3c2C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C34H26O3/c1-3-22-13-16-27(35)19-29(22)32-21(2)37-31-18-15-25-14-17-28(36)20-30(25)34(31)33(32)26-11-9-24(10-12-26)23-7-5-4-6-8-23/h3-20,33,35-36H,1H2,2H3
InChIKeyMMWHOSDZIDEGRA-UHFFFAOYSA-N
XLogP8.52
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 58.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethenyl-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-1H-benzo[f]chromen-8-ol
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CID 18949651
bismuthanylideneazanide;2-naphthalen-2-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol
CID 158256354
ethane;2-(4-methylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol
CID 165028803
9-(4-phenylphenyl)-9H-xanthene-2,7-diol
CID 118604834
2-(5-methylfuran-2-yl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaen-6-ol
CID 135216197
2-[4-(10-phenylanthracen-9-yl)phenyl]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578133
2-hydroxy-12-(4-propan-2-ylphenyl)-8,9,10,12-tetrahydrobenzo[a]xanthen-11-one
CID 56838146
2-(4-hydroxyphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol
CID 145446897
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578778
2-(4-phenanthren-9-ylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578169
12-methyl-3-(4-methyl-4-phenylcyclohexyl)-20-(4-phenylphenyl)-14,31-dioxaoctacyclo[16.16.0.02,15.04,13.05,10.019,32.021,30.022,27]tetratriaconta-1(18),2(15),4(13),5(10),6,8,11,16,19(32),21(30),22(27),23,25,28,33-pentadecaene-8,25-diol
CID 134218820

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenyl-5-hydroxyphenyl)-3-methyl-1-(4-phenylphenyl)-1H-benzo[f]chromen-9-ol?
The IUPAC name of 2-(2-ethenyl-5-hydroxyphenyl)-3-methyl-1-(4-phenylphenyl)-1H-benzo[f]chromen-9-ol (CID 155216305) is 2-(2-ethenyl-5-hydroxyphenyl)-3-methyl-1-(4-phenylphenyl)-1H-benzo[f]chromen-9-ol.
What is the SMILES notation for 2-(2-ethenyl-5-hydroxyphenyl)-3-methyl-1-(4-phenylphenyl)-1H-benzo[f]chromen-9-ol?
The canonical SMILES for 2-(2-ethenyl-5-hydroxyphenyl)-3-methyl-1-(4-phenylphenyl)-1H-benzo[f]chromen-9-ol is C=Cc1ccc(O)cc1C1=C(C)Oc2ccc3ccc(O)cc3c2C1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(2-ethenyl-5-hydroxyphenyl)-3-methyl-1-(4-phenylphenyl)-1H-benzo[f]chromen-9-ol?
The InChIKey is MMWHOSDZIDEGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26O3/c1-3-22-13-16-27(35)19-29(22)32-21(2)37-31-18-15-25-14-17-28(36)20-30(25)34(31)33(32)26-11-9-24(10-12-26)23-7-5-4-6-8-23/h3-20,33,35-36H,1H2,2H3.
What are the key properties of 2-(2-ethenyl-5-hydroxyphenyl)-3-methyl-1-(4-phenylphenyl)-1H-benzo[f]chromen-9-ol?
2-(2-ethenyl-5-hydroxyphenyl)-3-methyl-1-(4-phenylphenyl)-1H-benzo[f]chromen-9-ol has a molecular weight of 482.58 g/mol, XLogP of 8.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenyl-5-hydroxyphenyl)-3-methyl-1-(4-phenylphenyl)-1H-benzo[f]chromen-9-ol is sourced from PubChem (CID 155216305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).