1-[(5-hydroxy-1H-inden-1-yl)-(4-phenylphenyl)methyl]-1H-inden-5-ol

C31H24O2 — CID 135255367

IUPAC1-[(5-hydroxy-1H-inden-1-yl)-(4-phenylphenyl)methyl]-1H-inden-5-ol
SMILESOc1ccc2c(c1)C=CC2C(c1ccc(-c2ccccc2)cc1)C1C=Cc2cc(O)ccc21
InChIInChI=1S/C31H24O2/c32-25-12-16-27-23(18-25)10-14-29(27)31(30-15-11-24-19-26(33)13-17-28(24)30)22-8-6-21(7-9-22)20-4-2-1-3-5-20/h1-19,29-33H
InChIKeyVMFFCYIQNZIOTE-UHFFFAOYSA-N
MW428.53 g/mol
LogP7.47
Rot. Bonds4

About 1-[(5-hydroxy-1H-inden-1-yl)-(4-phenylphenyl)methyl]-1H-inden-5-ol

1-[(5-hydroxy-1H-inden-1-yl)-(4-phenylphenyl)methyl]-1H-inden-5-ol (PubChem CID 135255367) has the molecular formula C31H24O2 and a molecular weight of 428.53 g/mol. Its IUPAC name is 1-[(5-hydroxy-1H-inden-1-yl)-(4-phenylphenyl)methyl]-1H-inden-5-ol.

Molecular Properties

Compound Name1-[(5-hydroxy-1H-inden-1-yl)-(4-phenylphenyl)methyl]-1H-inden-5-ol
PubChem CID135255367
Molecular FormulaC31H24O2
Molecular Weight428.53 g/mol
Exact Mass428.18
IUPAC Name1-[(5-hydroxy-1H-inden-1-yl)-(4-phenylphenyl)methyl]-1H-inden-5-ol
SMILESOc1ccc2c(c1)C=CC2C(c1ccc(-c2ccccc2)cc1)C1C=Cc2cc(O)ccc21
InChIInChI=1S/C31H24O2/c32-25-12-16-27-23(18-25)10-14-29(27)31(30-15-11-24-19-26(33)13-17-28(24)30)22-8-6-21(7-9-22)20-4-2-1-3-5-20/h1-19,29-33H
InChIKeyVMFFCYIQNZIOTE-UHFFFAOYSA-N
XLogP7.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[5-[4-(3-hydroxyphenyl)cyclopenta-1,3-dien-1-yl]-1H-inden-1-yl]methanediol
CID 156522112
[5-[5-(3-hydroxyphenyl)furan-3-yl]-1H-inden-1-yl]methanediol
CID 156522243
[5-(3-phenylcyclopenta-1,3-dien-1-yl)-1H-inden-1-yl]methanediol
CID 156522067
1-[(2,7-dihydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]naphthalene-2,7-diol
CID 90379061
benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
5-(4-phenylcyclopenta-1,4-dien-1-yl)-1-propan-2-yl-1H-indene
CID 158968883
octalen-2-ol
CID 174999308
3-(4-hydroxyphenyl)phenol;hydrobromide
CID 153382873
4-[3,3-dimethyl-1,1-bis(1H-phenalen-1-yl)butan-2-yl]phenol
CID 174840000
ethane;phenol;1-phenyl-4-propan-2-ylbenzene
CID 159836751
1-[naphthalen-1-yl-(4-phenylphenyl)methyl]naphthalene-2,6-diol
CID 134202914
[(2S)-2-(4-hydroxyphenyl)-2-(4-phenylphenyl)ethyl] thiocyanate
CID 88998657

Frequently Asked Questions

What is the IUPAC name of 1-[(5-hydroxy-1H-inden-1-yl)-(4-phenylphenyl)methyl]-1H-inden-5-ol?
The IUPAC name of 1-[(5-hydroxy-1H-inden-1-yl)-(4-phenylphenyl)methyl]-1H-inden-5-ol (CID 135255367) is 1-[(5-hydroxy-1H-inden-1-yl)-(4-phenylphenyl)methyl]-1H-inden-5-ol.
What is the SMILES notation for 1-[(5-hydroxy-1H-inden-1-yl)-(4-phenylphenyl)methyl]-1H-inden-5-ol?
The canonical SMILES for 1-[(5-hydroxy-1H-inden-1-yl)-(4-phenylphenyl)methyl]-1H-inden-5-ol is Oc1ccc2c(c1)C=CC2C(c1ccc(-c2ccccc2)cc1)C1C=Cc2cc(O)ccc21.
What is the InChIKey of 1-[(5-hydroxy-1H-inden-1-yl)-(4-phenylphenyl)methyl]-1H-inden-5-ol?
The InChIKey is VMFFCYIQNZIOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24O2/c32-25-12-16-27-23(18-25)10-14-29(27)31(30-15-11-24-19-26(33)13-17-28(24)30)22-8-6-21(7-9-22)20-4-2-1-3-5-20/h1-19,29-33H.
What are the key properties of 1-[(5-hydroxy-1H-inden-1-yl)-(4-phenylphenyl)methyl]-1H-inden-5-ol?
1-[(5-hydroxy-1H-inden-1-yl)-(4-phenylphenyl)methyl]-1H-inden-5-ol has a molecular weight of 428.53 g/mol, XLogP of 7.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-hydroxy-1H-inden-1-yl)-(4-phenylphenyl)methyl]-1H-inden-5-ol is sourced from PubChem (CID 135255367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).