(2,5,6-trichloro-1-ethylindol-3-yl)methanol

C11H10Cl3NO — CID 82269557

IUPAC(2,5,6-trichloro-1-ethylindol-3-yl)methanol
SMILESCCn1c(Cl)c(CO)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C11H10Cl3NO/c1-2-15-10-4-9(13)8(12)3-6(10)7(5-16)11(15)14/h3-4,16H,2,5H2,1H3
InChIKeyUOOPABBNECYTIR-UHFFFAOYSA-N
MW278.57 g/mol
LogP4.11
Rot. Bonds2

About (2,5,6-trichloro-1-ethylindol-3-yl)methanol

(2,5,6-trichloro-1-ethylindol-3-yl)methanol (PubChem CID 82269557) has the molecular formula C11H10Cl3NO and a molecular weight of 278.57 g/mol. Its IUPAC name is (2,5,6-trichloro-1-ethylindol-3-yl)methanol.

Molecular Properties

Compound Name(2,5,6-trichloro-1-ethylindol-3-yl)methanol
PubChem CID82269557
Molecular FormulaC11H10Cl3NO
Molecular Weight278.57 g/mol
Exact Mass276.98
IUPAC Name(2,5,6-trichloro-1-ethylindol-3-yl)methanol
SMILESCCn1c(Cl)c(CO)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C11H10Cl3NO/c1-2-15-10-4-9(13)8(12)3-6(10)7(5-16)11(15)14/h3-4,16H,2,5H2,1H3
InChIKeyUOOPABBNECYTIR-UHFFFAOYSA-N
XLogP4.11
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.57
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-1-ethylindol-3-yl)methanol
CID 82268356
(2-chloro-1-ethyl-5-propan-2-ylindol-3-yl)methanol
CID 82268595
(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)-5,6-dimethylindol-3-yl]methanol
CID 82269110
(1-butyl-2,7-dichloroindol-3-yl)methanol
CID 82269358
[2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indol-3-yl]methanol
CID 82268819
[5,6-dichloro-2-[(E,3Z)-3-[5,6-dichloro-1-ethyl-3-(sulfomethyl)benzimidazol-2-ylidene]prop-1-enyl]-1-ethylindol-3-yl]methanesulfonic acid
CID 20611552
2,5,6-trichloro-1-(2-methylpropyl)indole-3-carbaldehyde
CID 82269567
[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]methanol
CID 82268659
2-chloro-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile
CID 59426450
2,7-ditert-butyl-9-ethylcarbazole-3,6-diol
CID 102526879

Frequently Asked Questions

What is the IUPAC name of (2,5,6-trichloro-1-ethylindol-3-yl)methanol?
The IUPAC name of (2,5,6-trichloro-1-ethylindol-3-yl)methanol (CID 82269557) is (2,5,6-trichloro-1-ethylindol-3-yl)methanol.
What is the SMILES notation for (2,5,6-trichloro-1-ethylindol-3-yl)methanol?
The canonical SMILES for (2,5,6-trichloro-1-ethylindol-3-yl)methanol is CCn1c(Cl)c(CO)c2cc(Cl)c(Cl)cc21.
What is the InChIKey of (2,5,6-trichloro-1-ethylindol-3-yl)methanol?
The InChIKey is UOOPABBNECYTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3NO/c1-2-15-10-4-9(13)8(12)3-6(10)7(5-16)11(15)14/h3-4,16H,2,5H2,1H3.
What are the key properties of (2,5,6-trichloro-1-ethylindol-3-yl)methanol?
(2,5,6-trichloro-1-ethylindol-3-yl)methanol has a molecular weight of 278.57 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5,6-trichloro-1-ethylindol-3-yl)methanol is sourced from PubChem (CID 82269557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).