[1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol

C16H13Cl2NO — CID 102912858

IUPAC[1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol
SMILESOCc1ccc2c(ccn2Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H13Cl2NO/c17-14-3-2-13(15(18)8-14)9-19-6-5-12-7-11(10-20)1-4-16(12)19/h1-8,20H,9-10H2
InChIKeyYUDQWYUKIMLKRE-UHFFFAOYSA-N
MW306.19 g/mol
LogP4.49
Rot. Bonds3

About [1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol

[1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol (PubChem CID 102912858) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is [1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol.

Molecular Properties

Compound Name[1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol
PubChem CID102912858
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name[1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol
SMILESOCc1ccc2c(ccn2Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H13Cl2NO/c17-14-3-2-13(15(18)8-14)9-19-6-5-12-7-11(10-20)1-4-16(12)19/h1-8,20H,9-10H2
InChIKeyYUDQWYUKIMLKRE-UHFFFAOYSA-N
XLogP4.49
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(3-chloro-4-pyridinyl)methyl]indol-5-yl]methanol
CID 102912875
[1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol
CID 102912443
[1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol
CID 103047381
[1-[(4-ethylphenyl)methyl]indol-5-yl]methanol
CID 102912425
1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole
CID 106870004
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzoic acid
CID 102912731
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzonitrile
CID 102912614
4-[[5-(aminomethyl)indol-1-yl]methyl]-3-chlorobenzonitrile
CID 102915523
[1-[(2,4-dichlorophenyl)methyl]pyrrol-3-yl]methanol
CID 66400580
4-[(5-chloroindol-1-yl)methyl]benzoic acid
CID 63879545
2-[(1-benzylindol-5-yl)methyl]-5-chlorobenzoic acid
CID 157427353
[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indol-5-yl]methanol
CID 102912844

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol?
The IUPAC name of [1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol (CID 102912858) is [1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol.
What is the SMILES notation for [1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol?
The canonical SMILES for [1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol is OCc1ccc2c(ccn2Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of [1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol?
The InChIKey is YUDQWYUKIMLKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c17-14-3-2-13(15(18)8-14)9-19-6-5-12-7-11(10-20)1-4-16(12)19/h1-8,20H,9-10H2.
What are the key properties of [1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol?
[1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol has a molecular weight of 306.19 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol is sourced from PubChem (CID 102912858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).