[2-(4-chloro-1-methylindol-3-yl)phenyl]-phenylmethanol

C22H18ClNO — CID 175186249

IUPAC[2-(4-chloro-1-methylindol-3-yl)phenyl]-phenylmethanol
SMILESCn1cc(-c2ccccc2C(O)c2ccccc2)c2c(Cl)cccc21
InChIInChI=1S/C22H18ClNO/c1-24-14-18(21-19(23)12-7-13-20(21)24)16-10-5-6-11-17(16)22(25)15-8-3-2-4-9-15/h2-14,22,25H,1H3
InChIKeyPCTKIGMDLXSNEA-UHFFFAOYSA-N
MW347.85 g/mol
LogP5.58
Rot. Bonds3

About [2-(4-chloro-1-methylindol-3-yl)phenyl]-phenylmethanol

[2-(4-chloro-1-methylindol-3-yl)phenyl]-phenylmethanol (PubChem CID 175186249) has the molecular formula C22H18ClNO and a molecular weight of 347.85 g/mol. Its IUPAC name is [2-(4-chloro-1-methylindol-3-yl)phenyl]-phenylmethanol.

Molecular Properties

Compound Name[2-(4-chloro-1-methylindol-3-yl)phenyl]-phenylmethanol
PubChem CID175186249
Molecular FormulaC22H18ClNO
Molecular Weight347.85 g/mol
Exact Mass347.11
IUPAC Name[2-(4-chloro-1-methylindol-3-yl)phenyl]-phenylmethanol
SMILESCn1cc(-c2ccccc2C(O)c2ccccc2)c2c(Cl)cccc21
InChIInChI=1S/C22H18ClNO/c1-24-14-18(21-19(23)12-7-13-20(21)24)16-10-5-6-11-17(16)22(25)15-8-3-2-4-9-15/h2-14,22,25H,1H3
InChIKeyPCTKIGMDLXSNEA-UHFFFAOYSA-N
XLogP5.58
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.85
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-1-methylindol-4-yl)ethanol
CID 84677358
6-(4-chloro-1-methylindol-3-yl)pyridin-3-amine
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(4-chloro-1-methylindol-3-yl)methanol
CID 117119629
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
5-(4-chloro-1-methylindol-3-yl)-1-methylpyrazol-4-amine
CID 115109191
(R)-(2-chlorophenyl)-(4-methylphenyl)methanol
CID 7107251
5-chloro-1-methylquinolin-4-one
CID 122129798
(R)-(3-bromophenyl)-(3-chloro-2-methylphenyl)methanol
CID 97293535
4-chloro-3-(iodomethyl)-1-methylindole;N,N-dimethylmethanamine
CID 69427691
(3-chloro-1-methylindol-4-yl)azanium
CID 154616293
(4-bromophenyl)-(2-chlorophenyl)methanol
CID 11312546
3-(1-fluoroethyl)-1-methylindol-4-ol
CID 84664633

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-1-methylindol-3-yl)phenyl]-phenylmethanol?
The IUPAC name of [2-(4-chloro-1-methylindol-3-yl)phenyl]-phenylmethanol (CID 175186249) is [2-(4-chloro-1-methylindol-3-yl)phenyl]-phenylmethanol.
What is the SMILES notation for [2-(4-chloro-1-methylindol-3-yl)phenyl]-phenylmethanol?
The canonical SMILES for [2-(4-chloro-1-methylindol-3-yl)phenyl]-phenylmethanol is Cn1cc(-c2ccccc2C(O)c2ccccc2)c2c(Cl)cccc21.
What is the InChIKey of [2-(4-chloro-1-methylindol-3-yl)phenyl]-phenylmethanol?
The InChIKey is PCTKIGMDLXSNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO/c1-24-14-18(21-19(23)12-7-13-20(21)24)16-10-5-6-11-17(16)22(25)15-8-3-2-4-9-15/h2-14,22,25H,1H3.
What are the key properties of [2-(4-chloro-1-methylindol-3-yl)phenyl]-phenylmethanol?
[2-(4-chloro-1-methylindol-3-yl)phenyl]-phenylmethanol has a molecular weight of 347.85 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-1-methylindol-3-yl)phenyl]-phenylmethanol is sourced from PubChem (CID 175186249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).