4-(4-hydroxyphenyl)phenol;6-phenyl-4-(3-phenylphenyl)cyclohexa-2,4-diene-1,1-diol

C36H30O4 — CID 70399651

IUPAC4-(4-hydroxyphenyl)phenol;6-phenyl-4-(3-phenylphenyl)cyclohexa-2,4-diene-1,1-diol
SMILESOC1(O)C=CC(c2cccc(-c3ccccc3)c2)=CC1c1ccccc1.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C24H20O2.C12H10O2/c25-24(26)15-14-22(17-23(24)19-10-5-2-6-11-19)21-13-7-12-20(16-21)18-8-3-1-4-9-18;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-17,23,25-26H;1-8,13-14H
InChIKeyMZVXIXSAMDWPAY-UHFFFAOYSA-N
MW526.63 g/mol
LogP7.54
Rot. Bonds4

About 4-(4-hydroxyphenyl)phenol;6-phenyl-4-(3-phenylphenyl)cyclohexa-2,4-diene-1,1-diol

4-(4-hydroxyphenyl)phenol;6-phenyl-4-(3-phenylphenyl)cyclohexa-2,4-diene-1,1-diol (PubChem CID 70399651) has the molecular formula C36H30O4 and a molecular weight of 526.63 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)phenol;6-phenyl-4-(3-phenylphenyl)cyclohexa-2,4-diene-1,1-diol.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)phenol;6-phenyl-4-(3-phenylphenyl)cyclohexa-2,4-diene-1,1-diol
PubChem CID70399651
Molecular FormulaC36H30O4
Molecular Weight526.63 g/mol
Exact Mass526.21
IUPAC Name4-(4-hydroxyphenyl)phenol;6-phenyl-4-(3-phenylphenyl)cyclohexa-2,4-diene-1,1-diol
SMILESOC1(O)C=CC(c2cccc(-c3ccccc3)c2)=CC1c1ccccc1.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C24H20O2.C12H10O2/c25-24(26)15-14-22(17-23(24)19-10-5-2-6-11-19)21-13-7-12-20(16-21)18-8-3-1-4-9-18;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-17,23,25-26H;1-8,13-14H
InChIKeyMZVXIXSAMDWPAY-UHFFFAOYSA-N
XLogP7.54
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.63
LogP ≤ 57.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
4-(3-benzylphenyl)phenol
CID 101277658
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
3-(4-hydroxyphenyl)phenol;hydrobromide
CID 153382873
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
benzene;1,1'-biphenyl;phenol
CID 159528072
octalen-2-ol
CID 174999308
9a-methyl-3-phenyl-4aH-anthracene-9,10-dione
CID 70960677

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)phenol;6-phenyl-4-(3-phenylphenyl)cyclohexa-2,4-diene-1,1-diol?
The IUPAC name of 4-(4-hydroxyphenyl)phenol;6-phenyl-4-(3-phenylphenyl)cyclohexa-2,4-diene-1,1-diol (CID 70399651) is 4-(4-hydroxyphenyl)phenol;6-phenyl-4-(3-phenylphenyl)cyclohexa-2,4-diene-1,1-diol.
What is the SMILES notation for 4-(4-hydroxyphenyl)phenol;6-phenyl-4-(3-phenylphenyl)cyclohexa-2,4-diene-1,1-diol?
The canonical SMILES for 4-(4-hydroxyphenyl)phenol;6-phenyl-4-(3-phenylphenyl)cyclohexa-2,4-diene-1,1-diol is OC1(O)C=CC(c2cccc(-c3ccccc3)c2)=CC1c1ccccc1.Oc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)phenol;6-phenyl-4-(3-phenylphenyl)cyclohexa-2,4-diene-1,1-diol?
The InChIKey is MZVXIXSAMDWPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O2.C12H10O2/c25-24(26)15-14-22(17-23(24)19-10-5-2-6-11-19)21-13-7-12-20(16-21)18-8-3-1-4-9-18;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-17,23,25-26H;1-8,13-14H.
What are the key properties of 4-(4-hydroxyphenyl)phenol;6-phenyl-4-(3-phenylphenyl)cyclohexa-2,4-diene-1,1-diol?
4-(4-hydroxyphenyl)phenol;6-phenyl-4-(3-phenylphenyl)cyclohexa-2,4-diene-1,1-diol has a molecular weight of 526.63 g/mol, XLogP of 7.54, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)phenol;6-phenyl-4-(3-phenylphenyl)cyclohexa-2,4-diene-1,1-diol is sourced from PubChem (CID 70399651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).