1-[2-chloro-1-[(3-methylphenyl)methyl]indol-3-yl]ethanol

C18H18ClNO — CID 82268397

IUPAC1-[2-chloro-1-[(3-methylphenyl)methyl]indol-3-yl]ethanol
SMILESCc1cccc(Cn2c(Cl)c(C(C)O)c3ccccc32)c1
InChIInChI=1S/C18H18ClNO/c1-12-6-5-7-14(10-12)11-20-16-9-4-3-8-15(16)17(13(2)21)18(20)19/h3-10,13,21H,11H2,1-2H3
InChIKeyGGOJSTLXFCAZLD-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.70
Rot. Bonds3

About 1-[2-chloro-1-[(3-methylphenyl)methyl]indol-3-yl]ethanol

1-[2-chloro-1-[(3-methylphenyl)methyl]indol-3-yl]ethanol (PubChem CID 82268397) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-[2-chloro-1-[(3-methylphenyl)methyl]indol-3-yl]ethanol.

Molecular Properties

Compound Name1-[2-chloro-1-[(3-methylphenyl)methyl]indol-3-yl]ethanol
PubChem CID82268397
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name1-[2-chloro-1-[(3-methylphenyl)methyl]indol-3-yl]ethanol
SMILESCc1cccc(Cn2c(Cl)c(C(C)O)c3ccccc32)c1
InChIInChI=1S/C18H18ClNO/c1-12-6-5-7-14(10-12)11-20-16-9-4-3-8-15(16)17(13(2)21)18(20)19/h3-10,13,21H,11H2,1-2H3
InChIKeyGGOJSTLXFCAZLD-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methane;9-[(3-methylphenyl)methyl]carbazole
CID 159308792
2-methyl-1-[(3-methylphenyl)methyl]indole-3-carboxylic acid
CID 91690082
2-chloro-5-methyl-1-[(3-methylphenyl)methyl]indole-3-carbaldehyde
CID 82268494
[2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indol-3-yl]methanol
CID 82268819
1-(1-butyl-2-chloro-5-methylindol-3-yl)ethanol
CID 82268473
1-[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanol
CID 82268661
9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
CID 67781407
2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indole-3-carbonitrile
CID 82268820
4-chloro-2-(1-chloroethyl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 104837733
(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 972889
(2S)-2-(methoxyamino)-3-[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]propanoic acid
CID 87585745
1-(2-chloro-1,5-dimethylindol-3-yl)ethanol
CID 82268441

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-1-[(3-methylphenyl)methyl]indol-3-yl]ethanol?
The IUPAC name of 1-[2-chloro-1-[(3-methylphenyl)methyl]indol-3-yl]ethanol (CID 82268397) is 1-[2-chloro-1-[(3-methylphenyl)methyl]indol-3-yl]ethanol.
What is the SMILES notation for 1-[2-chloro-1-[(3-methylphenyl)methyl]indol-3-yl]ethanol?
The canonical SMILES for 1-[2-chloro-1-[(3-methylphenyl)methyl]indol-3-yl]ethanol is Cc1cccc(Cn2c(Cl)c(C(C)O)c3ccccc32)c1.
What is the InChIKey of 1-[2-chloro-1-[(3-methylphenyl)methyl]indol-3-yl]ethanol?
The InChIKey is GGOJSTLXFCAZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-12-6-5-7-14(10-12)11-20-16-9-4-3-8-15(16)17(13(2)21)18(20)19/h3-10,13,21H,11H2,1-2H3.
What are the key properties of 1-[2-chloro-1-[(3-methylphenyl)methyl]indol-3-yl]ethanol?
1-[2-chloro-1-[(3-methylphenyl)methyl]indol-3-yl]ethanol has a molecular weight of 299.80 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-1-[(3-methylphenyl)methyl]indol-3-yl]ethanol is sourced from PubChem (CID 82268397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).