(2,4-dichlorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone

C16H11Cl2NO2 — CID 91690472

IUPAC(2,4-dichlorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)n1cc(CO)c2ccccc21
InChIInChI=1S/C16H11Cl2NO2/c17-11-5-6-13(14(18)7-11)16(21)19-8-10(9-20)12-3-1-2-4-15(12)19/h1-8,20H,9H2
InChIKeyISTUGJDMOZHCDQ-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.13
Rot. Bonds2

About (2,4-dichlorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone

(2,4-dichlorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone (PubChem CID 91690472) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone
PubChem CID91690472
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC Name(2,4-dichlorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)n1cc(CO)c2ccccc21
InChIInChI=1S/C16H11Cl2NO2/c17-11-5-6-13(14(18)7-11)16(21)19-8-10(9-20)12-3-1-2-4-15(12)19/h1-8,20H,9H2
InChIKeyISTUGJDMOZHCDQ-UHFFFAOYSA-N
XLogP4.13
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone
CID 91690338
2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 99965989
1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 24819149
[1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol
CID 66399928
1-(2,4-dichlorobenzoyl)indazole-3-carboxylic acid
CID 58796752
methyl 1-(5-chloro-2-methoxybenzoyl)indole-3-carboxylate
CID 7376054
tert-butyl N-[2-[1-(2-chlorobenzoyl)indol-3-yl]ethyl]carbamate
CID 130436394
5-[[1-(4-chlorobenzoyl)indol-3-yl]methyl]-1,2-dihydropyrazol-3-one
CID 18995246
tert-butyl 5-chloro-3-(hydroxymethyl)indole-1-carboxylate
CID 101043387
[5-(2-chloro-5-nitrophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone
CID 100817570
[3-(hydroxymethyl)indol-1-yl]-(3-methyl-4-nitrophenyl)methanone
CID 91690830
[3-(bromomethyl)indol-1-yl]-phenylmethanone
CID 14948482

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone (CID 91690472) is (2,4-dichlorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone is O=C(c1ccc(Cl)cc1Cl)n1cc(CO)c2ccccc21.
What is the InChIKey of (2,4-dichlorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone?
The InChIKey is ISTUGJDMOZHCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c17-11-5-6-13(14(18)7-11)16(21)19-8-10(9-20)12-3-1-2-4-15(12)19/h1-8,20H,9H2.
What are the key properties of (2,4-dichlorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone?
(2,4-dichlorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone has a molecular weight of 320.18 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone is sourced from PubChem (CID 91690472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).