2-[(3-chlorophenyl)methyl]isoindol-1-ol

C15H12ClNO — CID 91493733

IUPAC2-[(3-chlorophenyl)methyl]isoindol-1-ol
SMILESOc1c2ccccc2cn1Cc1cccc(Cl)c1
InChIInChI=1S/C15H12ClNO/c16-13-6-3-4-11(8-13)9-17-10-12-5-1-2-7-14(12)15(17)18/h1-8,10,18H,9H2
InChIKeyRZRABAIVDOWVMU-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.05
Rot. Bonds2

About 2-[(3-chlorophenyl)methyl]isoindol-1-ol

2-[(3-chlorophenyl)methyl]isoindol-1-ol (PubChem CID 91493733) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]isoindol-1-ol.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]isoindol-1-ol
PubChem CID91493733
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name2-[(3-chlorophenyl)methyl]isoindol-1-ol
SMILESOc1c2ccccc2cn1Cc1cccc(Cl)c1
InChIInChI=1S/C15H12ClNO/c16-13-6-3-4-11(8-13)9-17-10-12-5-1-2-7-14(12)15(17)18/h1-8,10,18H,9H2
InChIKeyRZRABAIVDOWVMU-UHFFFAOYSA-N
XLogP4.05
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-phenylphenyl)methyl]isoindol-1-ol
CID 90765258
2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol
CID 90773222
1-[(3-chlorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione
CID 7286772
1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 7026318
3-[(3-chlorophenyl)methyl]-5-hydroxypyrazino[1,2-a]quinoline-4,6-dione
CID 54683575
1-[(3-chlorophenyl)methyl]naphthalene
CID 173131881
4,6-dichloro-1-[(3-chlorophenyl)methyl]indol-5-ol
CID 139959943
N-[7-[(3-chlorophenyl)methyl]-8,9-dihydroxypyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide
CID 90869224
1-(azepan-1-yl)-2-[1-[(3-chlorophenyl)methyl]indol-3-yl]ethanone
CID 12004832
2-[(3-chlorophenyl)methyl]-3-hydroxy-N-[3-(2-propan-2-ylpiperidin-1-yl)propyl]isoindole-5-carboxamide
CID 91578503
1-(3-chlorophenyl)-3-naphthalen-1-ylpropan-2-ol
CID 62608540
3-chloronaphthalen-1-ol
CID 23423080

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]isoindol-1-ol?
The IUPAC name of 2-[(3-chlorophenyl)methyl]isoindol-1-ol (CID 91493733) is 2-[(3-chlorophenyl)methyl]isoindol-1-ol.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]isoindol-1-ol?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]isoindol-1-ol is Oc1c2ccccc2cn1Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]isoindol-1-ol?
The InChIKey is RZRABAIVDOWVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-13-6-3-4-11(8-13)9-17-10-12-5-1-2-7-14(12)15(17)18/h1-8,10,18H,9H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]isoindol-1-ol?
2-[(3-chlorophenyl)methyl]isoindol-1-ol has a molecular weight of 257.72 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]isoindol-1-ol is sourced from PubChem (CID 91493733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).