2-(1-methyl-5-phenyl-3H-benzo[cd]indol-3-yl)ethanol

C20H19NO — CID 102127073

IUPAC2-(1-methyl-5-phenyl-3H-benzo[cd]indol-3-yl)ethanol
SMILESCn1cc2c3c(cccc31)C(c1ccccc1)=CC2CCO
InChIInChI=1S/C20H19NO/c1-21-13-18-15(10-11-22)12-17(14-6-3-2-4-7-14)16-8-5-9-19(21)20(16)18/h2-9,12-13,15,22H,10-11H2,1H3
InChIKeyMVJLAKNKERDMSH-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.09
Rot. Bonds3

About 2-(1-methyl-5-phenyl-3H-benzo[cd]indol-3-yl)ethanol

2-(1-methyl-5-phenyl-3H-benzo[cd]indol-3-yl)ethanol (PubChem CID 102127073) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(1-methyl-5-phenyl-3H-benzo[cd]indol-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-methyl-5-phenyl-3H-benzo[cd]indol-3-yl)ethanol
PubChem CID102127073
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name2-(1-methyl-5-phenyl-3H-benzo[cd]indol-3-yl)ethanol
SMILESCn1cc2c3c(cccc31)C(c1ccccc1)=CC2CCO
InChIInChI=1S/C20H19NO/c1-21-13-18-15(10-11-22)12-17(14-6-3-2-4-7-14)16-8-5-9-19(21)20(16)18/h2-9,12-13,15,22H,10-11H2,1H3
InChIKeyMVJLAKNKERDMSH-UHFFFAOYSA-N
XLogP4.09
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropyl)-3-phenyl-1H-indene
CID 163497952
[2-(4-chloro-1-methylindol-3-yl)phenyl]-phenylmethanol
CID 175186249
(4-chloro-1-methylindol-3-yl)methanol
CID 117119629
CID 87518738
CID 87518738
1,2,9,10-tetramethyl-4,7-diphenyl-2,9-dihydro-1,10-phenanthroline
CID 174367478
1-(2-hydroxyethyl)-4-(1-methylindol-3-yl)imidazolidin-2-one
CID 116979364
2-(3-bromo-1-methylindol-4-yl)propan-1-ol
CID 117423783
2-(4-methoxy-1-methylindol-3-yl)acetic acid
CID 82278588
3-(2-hydroxyethyl)-2-(1-methylindol-3-yl)-1,3-thiazolidin-4-one
CID 23995593
4-phenylcarbazol-9-amine
CID 146177430
(6aR)-N-(4-hydroxybutyl)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 67700350
2-ethoxy-1,3-diphenylbenzene;zinc
CID 175181234

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-5-phenyl-3H-benzo[cd]indol-3-yl)ethanol?
The IUPAC name of 2-(1-methyl-5-phenyl-3H-benzo[cd]indol-3-yl)ethanol (CID 102127073) is 2-(1-methyl-5-phenyl-3H-benzo[cd]indol-3-yl)ethanol.
What is the SMILES notation for 2-(1-methyl-5-phenyl-3H-benzo[cd]indol-3-yl)ethanol?
The canonical SMILES for 2-(1-methyl-5-phenyl-3H-benzo[cd]indol-3-yl)ethanol is Cn1cc2c3c(cccc31)C(c1ccccc1)=CC2CCO.
What is the InChIKey of 2-(1-methyl-5-phenyl-3H-benzo[cd]indol-3-yl)ethanol?
The InChIKey is MVJLAKNKERDMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-21-13-18-15(10-11-22)12-17(14-6-3-2-4-7-14)16-8-5-9-19(21)20(16)18/h2-9,12-13,15,22H,10-11H2,1H3.
What are the key properties of 2-(1-methyl-5-phenyl-3H-benzo[cd]indol-3-yl)ethanol?
2-(1-methyl-5-phenyl-3H-benzo[cd]indol-3-yl)ethanol has a molecular weight of 289.38 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-5-phenyl-3H-benzo[cd]indol-3-yl)ethanol is sourced from PubChem (CID 102127073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).