[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol

C18H13ClN2O — CID 10686284

IUPAC[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol
SMILESOCc1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1
InChIInChI=1S/C18H13ClN2O/c19-15-7-3-1-6-13(15)17-18-14(9-11(10-22)20-17)12-5-2-4-8-16(12)21-18/h1-9,21-22H,10H2
InChIKeyRUWPSOLHQZSNFQ-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.53
Rot. Bonds2

About [1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol

[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol (PubChem CID 10686284) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol
PubChem CID10686284
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol
SMILESOCc1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1
InChIInChI=1S/C18H13ClN2O/c19-15-7-3-1-6-13(15)17-18-14(9-11(10-22)20-17)12-5-2-4-8-16(12)21-18/h1-9,21-22H,10H2
InChIKeyRUWPSOLHQZSNFQ-UHFFFAOYSA-N
XLogP4.53
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-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-phenanthren-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanol
CID 72946442
(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanol
CID 130269845
(1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol
CID 72946438
2-[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]-5-methylsulfanyl-1,3,4-oxadiazole
CID 44587961
1-[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid
CID 6217142
[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine
CID 122185830
1-(2-chlorophenyl)-N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 137314382
1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 175123310
3-(hydroxymethyl)-2,9-dihydropyrido[3,4-b]indol-1-one
CID 135059722
2,3-bis(2-chlorophenyl)-1H-indole
CID 132600701
1-(2-benzylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 175115962
[4-(2-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]methanol
CID 105498426

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol?
The IUPAC name of [1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol (CID 10686284) is [1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol.
What is the SMILES notation for [1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol?
The canonical SMILES for [1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol is OCc1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1.
What is the InChIKey of [1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol?
The InChIKey is RUWPSOLHQZSNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-15-7-3-1-6-13(15)17-18-14(9-11(10-22)20-17)12-5-2-4-8-16(12)21-18/h1-9,21-22H,10H2.
What are the key properties of [1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol?
[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol has a molecular weight of 308.77 g/mol, XLogP of 4.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol is sourced from PubChem (CID 10686284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).