chloromethane;9-ethyl-2,3-dihydro-1H-benzo[e]indol-5-ol

C15H18ClNO — CID 143754973

IUPACchloromethane;9-ethyl-2,3-dihydro-1H-benzo[e]indol-5-ol
SMILESCCc1cccc2c(O)cc3c(c12)CCN3.CCl
InChIInChI=1S/C14H15NO.CH3Cl/c1-2-9-4-3-5-11-13(16)8-12-10(14(9)11)6-7-15-12;1-2/h3-5,8,15-16H,2,6-7H2,1H3;1H3
InChIKeyJRISRCWDDGZQPA-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.93
Rot. Bonds1

About chloromethane;9-ethyl-2,3-dihydro-1H-benzo[e]indol-5-ol

chloromethane;9-ethyl-2,3-dihydro-1H-benzo[e]indol-5-ol (PubChem CID 143754973) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is chloromethane;9-ethyl-2,3-dihydro-1H-benzo[e]indol-5-ol.

Molecular Properties

Compound Namechloromethane;9-ethyl-2,3-dihydro-1H-benzo[e]indol-5-ol
PubChem CID143754973
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Namechloromethane;9-ethyl-2,3-dihydro-1H-benzo[e]indol-5-ol
SMILESCCc1cccc2c(O)cc3c(c12)CCN3.CCl
InChIInChI=1S/C14H15NO.CH3Cl/c1-2-9-4-3-5-11-13(16)8-12-10(14(9)11)6-7-15-12;1-2/h3-5,8,15-16H,2,6-7H2,1H3;1H3
InChIKeyJRISRCWDDGZQPA-UHFFFAOYSA-N
XLogP3.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

9-amino-2,3-dihydro-1H-benzo[e]indol-5-ol
CID 143754978
5-ethyl-4-methylnaphthalen-1-ol
CID 130033880
4-(2,4,6-triethylphenyl)-2,3-dihydro-1H-indole
CID 116698620
4-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxylic acid
CID 167722989
2-ethylnaphthalene-1,4-diol
CID 13077288
4-fluoro-6-hydroxy-2,3-dihydro-1H-indole-5-carboxylic acid
CID 117110506
5-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one
CID 130038964
N-(2-ethyl-6-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325541
magnesium;2-ethylphenol;chloride
CID 173391731
6-(3,4-diethylphenyl)-2,3-dihydro-1H-indole
CID 116698615
2-(2,3-dihydro-1H-indol-4-yl)ethanethiol
CID 167181499
6-iodo-2,3-dihydro-1H-indol-4-ol
CID 119083614

Frequently Asked Questions

What is the IUPAC name of chloromethane;9-ethyl-2,3-dihydro-1H-benzo[e]indol-5-ol?
The IUPAC name of chloromethane;9-ethyl-2,3-dihydro-1H-benzo[e]indol-5-ol (CID 143754973) is chloromethane;9-ethyl-2,3-dihydro-1H-benzo[e]indol-5-ol.
What is the SMILES notation for chloromethane;9-ethyl-2,3-dihydro-1H-benzo[e]indol-5-ol?
The canonical SMILES for chloromethane;9-ethyl-2,3-dihydro-1H-benzo[e]indol-5-ol is CCc1cccc2c(O)cc3c(c12)CCN3.CCl.
What is the InChIKey of chloromethane;9-ethyl-2,3-dihydro-1H-benzo[e]indol-5-ol?
The InChIKey is JRISRCWDDGZQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.CH3Cl/c1-2-9-4-3-5-11-13(16)8-12-10(14(9)11)6-7-15-12;1-2/h3-5,8,15-16H,2,6-7H2,1H3;1H3.
What are the key properties of chloromethane;9-ethyl-2,3-dihydro-1H-benzo[e]indol-5-ol?
chloromethane;9-ethyl-2,3-dihydro-1H-benzo[e]indol-5-ol has a molecular weight of 263.77 g/mol, XLogP of 3.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;9-ethyl-2,3-dihydro-1H-benzo[e]indol-5-ol is sourced from PubChem (CID 143754973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).