[3-(hydroxymethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]-phenylmethanone

C20H19NO2 — CID 21431661

IUPAC[3-(hydroxymethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]-phenylmethanone
SMILESO=C(c1ccccc1)n1c2c(c3ccccc31)CC(CO)CC2
InChIInChI=1S/C20H19NO2/c22-13-14-10-11-19-17(12-14)16-8-4-5-9-18(16)21(19)20(23)15-6-2-1-3-7-15/h1-9,14,22H,10-13H2
InChIKeyCAHUPLPYGIRXCL-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.43
Rot. Bonds2

About [3-(hydroxymethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]-phenylmethanone

[3-(hydroxymethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]-phenylmethanone (PubChem CID 21431661) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is [3-(hydroxymethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]-phenylmethanone
PubChem CID21431661
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name[3-(hydroxymethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]-phenylmethanone
SMILESO=C(c1ccccc1)n1c2c(c3ccccc31)CC(CO)CC2
InChIInChI=1S/C20H19NO2/c22-13-14-10-11-19-17(12-14)16-8-4-5-9-18(16)21(19)20(23)15-6-2-1-3-7-15/h1-9,14,22H,10-13H2
InChIKeyCAHUPLPYGIRXCL-UHFFFAOYSA-N
XLogP3.43
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-Carbazol-9-ylphenylmethanone
CID 95052
9-Carbazolyl-(4-methylphenyl)methanone
CID 576989
Delmetacin
CID 27860
1-cyclohexyl-3-methyl-2-phenyl-1H-indole-5-carboxylic acid
CID 21874515
3-[2-Methyl-1-phenyl-3-(2-phenylethyl)indol-5-yl]propanoic acid
CID 59317813
9-(2-fluorobenzoyl)-2,3,4,9-tetrahydro-1H-carbazole
CID 746851
(1s,4s)-4-(1-methyl-2-phenyl-1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 13409295
2,4-Dioxo-4-[4-(2-phenylindol-1-yl)phenyl]butanoic acid
CID 44272243
(S)-tert-butyl 2-(3,5-dimethylphenyl)-5-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3-(1-hydroxypropan-2-yl)-1H-indole-1-carboxylate
CID 53323237
4-Hydroxy-5-phenylpyrido[3,2,1-jk]carbazol-6-one
CID 54697918
Phenyl(2-phenyl-1H-indol-1-yl)methanone
CID 13207646
US10266491, Example 7
CID 130362516

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]-phenylmethanone?
The IUPAC name of [3-(hydroxymethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]-phenylmethanone (CID 21431661) is [3-(hydroxymethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]-phenylmethanone.
What is the SMILES notation for [3-(hydroxymethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]-phenylmethanone?
The canonical SMILES for [3-(hydroxymethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]-phenylmethanone is O=C(c1ccccc1)n1c2c(c3ccccc31)CC(CO)CC2.
What is the InChIKey of [3-(hydroxymethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]-phenylmethanone?
The InChIKey is CAHUPLPYGIRXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c22-13-14-10-11-19-17(12-14)16-8-4-5-9-18(16)21(19)20(23)15-6-2-1-3-7-15/h1-9,14,22H,10-13H2.
What are the key properties of [3-(hydroxymethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]-phenylmethanone?
[3-(hydroxymethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]-phenylmethanone has a molecular weight of 305.38 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]-phenylmethanone is sourced from PubChem (CID 21431661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).