2-[(4-phenylphenyl)methyl]isoindol-1-ol

C21H17NO — CID 90765258

IUPAC2-[(4-phenylphenyl)methyl]isoindol-1-ol
SMILESOc1c2ccccc2cn1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H17NO/c23-21-20-9-5-4-8-19(20)15-22(21)14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-13,15,23H,14H2
InChIKeyJTKKYBVMRQSCPF-UHFFFAOYSA-N
MW299.37 g/mol
LogP5.06
Rot. Bonds3

About 2-[(4-phenylphenyl)methyl]isoindol-1-ol

2-[(4-phenylphenyl)methyl]isoindol-1-ol (PubChem CID 90765258) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[(4-phenylphenyl)methyl]isoindol-1-ol.

Molecular Properties

Compound Name2-[(4-phenylphenyl)methyl]isoindol-1-ol
PubChem CID90765258
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name2-[(4-phenylphenyl)methyl]isoindol-1-ol
SMILESOc1c2ccccc2cn1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H17NO/c23-21-20-9-5-4-8-19(20)15-22(21)14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-13,15,23H,14H2
InChIKeyJTKKYBVMRQSCPF-UHFFFAOYSA-N
XLogP5.06
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.37
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol
CID 90773222
2-[(3-chlorophenyl)methyl]isoindol-1-ol
CID 91493733
2-[(4-methylphenyl)methyl]-9-phenylpyrrolo[3,4-b]quinolin-1-ol
CID 135995962
(E)-3-[1-[(4-phenylphenyl)methyl]indol-3-yl]prop-2-enoic acid
CID 18799537
N-[(1-hydroxyisoindol-2-yl)methyl]methanesulfonamide
CID 22090497
5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-[(4-methylphenyl)methyl]isoindol-1-ol
CID 91142032
1,1'-biphenyl;naphthalene;phenanthrene
CID 157410235
1-benzyl-2-(4-methylphenyl)-4-phenylimidazole
CID 163216980
1,1'-biphenyl;1,4-diphenylbenzene;ethane;naphthalene;phenanthrene
CID 158841778
2-[5-bromo-1-[(4-phenylphenyl)methyl]indol-3-yl]acetic acid
CID 25106855
1-(chloromethyl)-4-phenylbenzene
CID 15463
naphthalen-1-ol;zinc;hydrate
CID 175263139

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphenyl)methyl]isoindol-1-ol?
The IUPAC name of 2-[(4-phenylphenyl)methyl]isoindol-1-ol (CID 90765258) is 2-[(4-phenylphenyl)methyl]isoindol-1-ol.
What is the SMILES notation for 2-[(4-phenylphenyl)methyl]isoindol-1-ol?
The canonical SMILES for 2-[(4-phenylphenyl)methyl]isoindol-1-ol is Oc1c2ccccc2cn1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[(4-phenylphenyl)methyl]isoindol-1-ol?
The InChIKey is JTKKYBVMRQSCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c23-21-20-9-5-4-8-19(20)15-22(21)14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-13,15,23H,14H2.
What are the key properties of 2-[(4-phenylphenyl)methyl]isoindol-1-ol?
2-[(4-phenylphenyl)methyl]isoindol-1-ol has a molecular weight of 299.37 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylphenyl)methyl]isoindol-1-ol is sourced from PubChem (CID 90765258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).