2-(1-benzhydryl-5-chloro-2-methylindol-3-yl)ethanol

C24H22ClNO — CID 11660803

IUPAC2-(1-benzhydryl-5-chloro-2-methylindol-3-yl)ethanol
SMILESCc1c(CCO)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22ClNO/c1-17-21(14-15-27)22-16-20(25)12-13-23(22)26(17)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,24,27H,14-15H2,1H3
InChIKeyMNIWFAVBRRZHFN-UHFFFAOYSA-N
MW375.90 g/mol
LogP5.78
Rot. Bonds5

About 2-(1-benzhydryl-5-chloro-2-methylindol-3-yl)ethanol

2-(1-benzhydryl-5-chloro-2-methylindol-3-yl)ethanol (PubChem CID 11660803) has the molecular formula C24H22ClNO and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-(1-benzhydryl-5-chloro-2-methylindol-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-benzhydryl-5-chloro-2-methylindol-3-yl)ethanol
PubChem CID11660803
Molecular FormulaC24H22ClNO
Molecular Weight375.90 g/mol
Exact Mass375.14
IUPAC Name2-(1-benzhydryl-5-chloro-2-methylindol-3-yl)ethanol
SMILESCc1c(CCO)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22ClNO/c1-17-21(14-15-27)22-16-20(25)12-13-23(22)26(17)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,24,27H,14-15H2,1H3
InChIKeyMNIWFAVBRRZHFN-UHFFFAOYSA-N
XLogP5.78
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzhydryl-5-chloro-2-methylindol-3-yl)ethanol?
The IUPAC name of 2-(1-benzhydryl-5-chloro-2-methylindol-3-yl)ethanol (CID 11660803) is 2-(1-benzhydryl-5-chloro-2-methylindol-3-yl)ethanol.
What is the SMILES notation for 2-(1-benzhydryl-5-chloro-2-methylindol-3-yl)ethanol?
The canonical SMILES for 2-(1-benzhydryl-5-chloro-2-methylindol-3-yl)ethanol is Cc1c(CCO)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1-benzhydryl-5-chloro-2-methylindol-3-yl)ethanol?
The InChIKey is MNIWFAVBRRZHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO/c1-17-21(14-15-27)22-16-20(25)12-13-23(22)26(17)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,24,27H,14-15H2,1H3.
What are the key properties of 2-(1-benzhydryl-5-chloro-2-methylindol-3-yl)ethanol?
2-(1-benzhydryl-5-chloro-2-methylindol-3-yl)ethanol has a molecular weight of 375.90 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzhydryl-5-chloro-2-methylindol-3-yl)ethanol is sourced from PubChem (CID 11660803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).