chloromethane;8-methoxy-3-methyl-1,2-dihydrobenzo[e]indol-5-ol

C15H18ClNO2 — CID 168951474

IUPACchloromethane;8-methoxy-3-methyl-1,2-dihydrobenzo[e]indol-5-ol
SMILESCCl.COc1ccc2c(O)cc3c(c2c1)CCN3C
InChIInChI=1S/C14H15NO2.CH3Cl/c1-15-6-5-10-12-7-9(17-2)3-4-11(12)14(16)8-13(10)15;1-2/h3-4,7-8,16H,5-6H2,1-2H3;1H3
InChIKeyCAKJUCRFFMNHEQ-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.40
Rot. Bonds1

About chloromethane;8-methoxy-3-methyl-1,2-dihydrobenzo[e]indol-5-ol

chloromethane;8-methoxy-3-methyl-1,2-dihydrobenzo[e]indol-5-ol (PubChem CID 168951474) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is chloromethane;8-methoxy-3-methyl-1,2-dihydrobenzo[e]indol-5-ol.

Molecular Properties

Compound Namechloromethane;8-methoxy-3-methyl-1,2-dihydrobenzo[e]indol-5-ol
PubChem CID168951474
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Namechloromethane;8-methoxy-3-methyl-1,2-dihydrobenzo[e]indol-5-ol
SMILESCCl.COc1ccc2c(O)cc3c(c2c1)CCN3C
InChIInChI=1S/C14H15NO2.CH3Cl/c1-15-6-5-10-12-7-9(17-2)3-4-11(12)14(16)8-13(10)15;1-2/h3-4,7-8,16H,5-6H2,1-2H3;1H3
InChIKeyCAKJUCRFFMNHEQ-UHFFFAOYSA-N
XLogP3.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

chloromethane;5-(2-methoxyethoxy)-1H-indole-2-carbaldehyde;8-methoxy-3-methyl-1,2-dihydrobenzo[e]indol-5-ol
CID 168951537
4-hydroxy-6-methoxynaphthalene-2-carboxylic acid
CID 19868719
5,7-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline
CID 10512521
9-methoxy-3-methyl-1,2,4,5-tetrahydro-[1]benzothiolo[2,3-d]azepine
CID 164872453
8-methoxy-3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indole
CID 154694313
5-methoxy-2-pyrrolidin-1-ylphenol
CID 168512796
3,6-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[10,9-f]indolizin-7-ol
CID 78090584
14,16-dimethoxy-8,10-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol
CID 14240822
4-chloro-5-methoxy-1-methyl-2,3-dihydroindole
CID 59465689
N-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine
CID 82537037
N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2,3-dihydroindol-5-amine
CID 82538749
(5-methoxy-1-methylindol-3-yl)boronic acid
CID 58933386

Frequently Asked Questions

What is the IUPAC name of chloromethane;8-methoxy-3-methyl-1,2-dihydrobenzo[e]indol-5-ol?
The IUPAC name of chloromethane;8-methoxy-3-methyl-1,2-dihydrobenzo[e]indol-5-ol (CID 168951474) is chloromethane;8-methoxy-3-methyl-1,2-dihydrobenzo[e]indol-5-ol.
What is the SMILES notation for chloromethane;8-methoxy-3-methyl-1,2-dihydrobenzo[e]indol-5-ol?
The canonical SMILES for chloromethane;8-methoxy-3-methyl-1,2-dihydrobenzo[e]indol-5-ol is CCl.COc1ccc2c(O)cc3c(c2c1)CCN3C.
What is the InChIKey of chloromethane;8-methoxy-3-methyl-1,2-dihydrobenzo[e]indol-5-ol?
The InChIKey is CAKJUCRFFMNHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2.CH3Cl/c1-15-6-5-10-12-7-9(17-2)3-4-11(12)14(16)8-13(10)15;1-2/h3-4,7-8,16H,5-6H2,1-2H3;1H3.
What are the key properties of chloromethane;8-methoxy-3-methyl-1,2-dihydrobenzo[e]indol-5-ol?
chloromethane;8-methoxy-3-methyl-1,2-dihydrobenzo[e]indol-5-ol has a molecular weight of 279.77 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;8-methoxy-3-methyl-1,2-dihydrobenzo[e]indol-5-ol is sourced from PubChem (CID 168951474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).