(4-chlorophenyl)-[5-(hydroxymethyl)-2,3-dimethylindol-1-yl]methanone

C18H16ClNO2 — CID 70579907

IUPAC(4-chlorophenyl)-[5-(hydroxymethyl)-2,3-dimethylindol-1-yl]methanone
SMILESCc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(CO)cc12
InChIInChI=1S/C18H16ClNO2/c1-11-12(2)20(17-8-3-13(10-21)9-16(11)17)18(22)14-4-6-15(19)7-5-14/h3-9,21H,10H2,1-2H3
InChIKeyPJCQZCMSYMVQFL-UHFFFAOYSA-N
MW313.78 g/mol
LogP4.09
Rot. Bonds2

About (4-chlorophenyl)-[5-(hydroxymethyl)-2,3-dimethylindol-1-yl]methanone

(4-chlorophenyl)-[5-(hydroxymethyl)-2,3-dimethylindol-1-yl]methanone (PubChem CID 70579907) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(hydroxymethyl)-2,3-dimethylindol-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(hydroxymethyl)-2,3-dimethylindol-1-yl]methanone
PubChem CID70579907
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name(4-chlorophenyl)-[5-(hydroxymethyl)-2,3-dimethylindol-1-yl]methanone
SMILESCc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(CO)cc12
InChIInChI=1S/C18H16ClNO2/c1-11-12(2)20(17-8-3-13(10-21)9-16(11)17)18(22)14-4-6-15(19)7-5-14/h3-9,21H,10H2,1-2H3
InChIKeyPJCQZCMSYMVQFL-UHFFFAOYSA-N
XLogP4.09
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
CID 71081714
2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-(4-nitrophenyl)-N-[(4-nitrophenyl)carbamoyl]acetamide
CID 89230315
(3-benzyl-2,5-dimethylindol-1-yl)-(4-chlorophenyl)methanone
CID 11211027
CID 89175209
CID 89175209
2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71081658
2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 71081664
(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
CID 15320026
ethane;(5-methoxy-2,3-dimethylindol-1-yl)-(4-methylphenyl)methanone
CID 142926296
benzyl 1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-carboxylate
CID 154136063
(4-chlorophenyl)-[3-(2,3-dihydroxypropyl)-5-methoxy-2-methylindol-1-yl]methanone
CID 154158103
propan-2-yl 2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetate
CID 21136124
(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(hydroxymethyl)-2,3-dimethylindol-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-(hydroxymethyl)-2,3-dimethylindol-1-yl]methanone (CID 70579907) is (4-chlorophenyl)-[5-(hydroxymethyl)-2,3-dimethylindol-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-(hydroxymethyl)-2,3-dimethylindol-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-(hydroxymethyl)-2,3-dimethylindol-1-yl]methanone is Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(CO)cc12.
What is the InChIKey of (4-chlorophenyl)-[5-(hydroxymethyl)-2,3-dimethylindol-1-yl]methanone?
The InChIKey is PJCQZCMSYMVQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-11-12(2)20(17-8-3-13(10-21)9-16(11)17)18(22)14-4-6-15(19)7-5-14/h3-9,21H,10H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[5-(hydroxymethyl)-2,3-dimethylindol-1-yl]methanone?
(4-chlorophenyl)-[5-(hydroxymethyl)-2,3-dimethylindol-1-yl]methanone has a molecular weight of 313.78 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-(hydroxymethyl)-2,3-dimethylindol-1-yl]methanone is sourced from PubChem (CID 70579907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).