2-(4-chlorophenyl)-2-(1,2-dimethylindol-3-yl)ethanol

C18H18ClNO — CID 24786422

IUPAC2-(4-chlorophenyl)-2-(1,2-dimethylindol-3-yl)ethanol
SMILESCc1c(C(CO)c2ccc(Cl)cc2)c2ccccc2n1C
InChIInChI=1S/C18H18ClNO/c1-12-18(15-5-3-4-6-17(15)20(12)2)16(11-21)13-7-9-14(19)10-8-13/h3-10,16,21H,11H2,1-2H3
InChIKeyCAJSSGXKEBQONF-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.26
Rot. Bonds3

About 2-(4-chlorophenyl)-2-(1,2-dimethylindol-3-yl)ethanol

2-(4-chlorophenyl)-2-(1,2-dimethylindol-3-yl)ethanol (PubChem CID 24786422) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(1,2-dimethylindol-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(1,2-dimethylindol-3-yl)ethanol
PubChem CID24786422
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name2-(4-chlorophenyl)-2-(1,2-dimethylindol-3-yl)ethanol
SMILESCc1c(C(CO)c2ccc(Cl)cc2)c2ccccc2n1C
InChIInChI=1S/C18H18ClNO/c1-12-18(15-5-3-4-6-17(15)20(12)2)16(11-21)13-7-9-14(19)10-8-13/h3-10,16,21H,11H2,1-2H3
InChIKeyCAJSSGXKEBQONF-UHFFFAOYSA-N
XLogP4.26
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
CID 95438701
2-(1,2-dimethylindol-3-yl)propanamide
CID 20667705
2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid
CID 82488583
2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid
CID 82475185
2-(6-chloro-1-methyl-2-pyridin-2-ylindol-3-yl)-2-phenylethanol;ethane
CID 145022337
2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine
CID 82285579
2-[4-[2-amino-1-(1,2-dimethylindol-3-yl)ethyl]piperidin-1-yl]ethanol
CID 83976723
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-methylindol-3-yl)acetamide
CID 110004624
3-(2-chloro-6-fluorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine
CID 83976734
3-cyclobutyl-3-(1,2-dimethylindol-3-yl)propanoic acid
CID 82277340
2-(cyclopropylamino)-2-(1,2-dimethylindol-3-yl)acetic acid
CID 82483496
2-[(1,2-dimethylindol-3-yl)methylamino]propan-1-ol
CID 82475346

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(1,2-dimethylindol-3-yl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)-2-(1,2-dimethylindol-3-yl)ethanol (CID 24786422) is 2-(4-chlorophenyl)-2-(1,2-dimethylindol-3-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(1,2-dimethylindol-3-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-2-(1,2-dimethylindol-3-yl)ethanol is Cc1c(C(CO)c2ccc(Cl)cc2)c2ccccc2n1C.
What is the InChIKey of 2-(4-chlorophenyl)-2-(1,2-dimethylindol-3-yl)ethanol?
The InChIKey is CAJSSGXKEBQONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-12-18(15-5-3-4-6-17(15)20(12)2)16(11-21)13-7-9-14(19)10-8-13/h3-10,16,21H,11H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-2-(1,2-dimethylindol-3-yl)ethanol?
2-(4-chlorophenyl)-2-(1,2-dimethylindol-3-yl)ethanol has a molecular weight of 299.80 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(1,2-dimethylindol-3-yl)ethanol is sourced from PubChem (CID 24786422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).