[2-chloro-1-(2-methoxyethyl)-5,6-dimethylindol-3-yl]methanol

C14H18ClNO2 — CID 82269110

IUPAC[2-chloro-1-(2-methoxyethyl)-5,6-dimethylindol-3-yl]methanol
SMILESCOCCn1c(Cl)c(CO)c2cc(C)c(C)cc21
InChIInChI=1S/C14H18ClNO2/c1-9-6-11-12(8-17)14(15)16(4-5-18-3)13(11)7-10(9)2/h6-7,17H,4-5,8H2,1-3H3
InChIKeyGYSBKUGCDNROEC-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.05
Rot. Bonds4

About [2-chloro-1-(2-methoxyethyl)-5,6-dimethylindol-3-yl]methanol

[2-chloro-1-(2-methoxyethyl)-5,6-dimethylindol-3-yl]methanol (PubChem CID 82269110) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is [2-chloro-1-(2-methoxyethyl)-5,6-dimethylindol-3-yl]methanol.

Molecular Properties

Compound Name[2-chloro-1-(2-methoxyethyl)-5,6-dimethylindol-3-yl]methanol
PubChem CID82269110
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name[2-chloro-1-(2-methoxyethyl)-5,6-dimethylindol-3-yl]methanol
SMILESCOCCn1c(Cl)c(CO)c2cc(C)c(C)cc21
InChIInChI=1S/C14H18ClNO2/c1-9-6-11-12(8-17)14(15)16(4-5-18-3)13(11)7-10(9)2/h6-7,17H,4-5,8H2,1-3H3
InChIKeyGYSBKUGCDNROEC-UHFFFAOYSA-N
XLogP3.05
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile
CID 82269111
(1-butyl-2-chloro-6-methylindol-3-yl)methanol
CID 82269650
(2,5-dichloro-1-propylindol-3-yl)methanol
CID 82268729
2-chloro-1-(2-methoxyethyl)-4,6-dimethylindole-3-carbaldehyde
CID 82269167
1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone
CID 82268904
(E)-3-[2-chloro-1-(2-methoxyethyl)-4,6-dimethylindol-3-yl]prop-2-enoic acid
CID 82269173
2,5-dichloro-1-(2-methoxyethyl)indole-3-carbonitrile
CID 82268749
2-chloro-1-(2-methoxyethyl)-7-methylindole-3-carboxylic acid
CID 82268674
1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone
CID 82268678
2-chloro-5-fluoro-1-(2-methoxyethyl)indole-3-carbaldehyde
CID 82268802
2-chloro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 41048157
(2-chloro-1-ethylindol-3-yl)methanol
CID 82268356

Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-(2-methoxyethyl)-5,6-dimethylindol-3-yl]methanol?
The IUPAC name of [2-chloro-1-(2-methoxyethyl)-5,6-dimethylindol-3-yl]methanol (CID 82269110) is [2-chloro-1-(2-methoxyethyl)-5,6-dimethylindol-3-yl]methanol.
What is the SMILES notation for [2-chloro-1-(2-methoxyethyl)-5,6-dimethylindol-3-yl]methanol?
The canonical SMILES for [2-chloro-1-(2-methoxyethyl)-5,6-dimethylindol-3-yl]methanol is COCCn1c(Cl)c(CO)c2cc(C)c(C)cc21.
What is the InChIKey of [2-chloro-1-(2-methoxyethyl)-5,6-dimethylindol-3-yl]methanol?
The InChIKey is GYSBKUGCDNROEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-9-6-11-12(8-17)14(15)16(4-5-18-3)13(11)7-10(9)2/h6-7,17H,4-5,8H2,1-3H3.
What are the key properties of [2-chloro-1-(2-methoxyethyl)-5,6-dimethylindol-3-yl]methanol?
[2-chloro-1-(2-methoxyethyl)-5,6-dimethylindol-3-yl]methanol has a molecular weight of 267.76 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-(2-methoxyethyl)-5,6-dimethylindol-3-yl]methanol is sourced from PubChem (CID 82269110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).