(2,4,6-trichloro-1H-indol-3-yl)methanol

C9H6Cl3NO — CID 82269577

IUPAC(2,4,6-trichloro-1H-indol-3-yl)methanol
SMILESOCc1c(Cl)[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C9H6Cl3NO/c10-4-1-6(11)8-5(3-14)9(12)13-7(8)2-4/h1-2,13-14H,3H2
InChIKeyQXJKNFJLHGCBFQ-UHFFFAOYSA-N
MW250.51 g/mol
LogP3.62
Rot. Bonds1

About (2,4,6-trichloro-1H-indol-3-yl)methanol

(2,4,6-trichloro-1H-indol-3-yl)methanol (PubChem CID 82269577) has the molecular formula C9H6Cl3NO and a molecular weight of 250.51 g/mol. Its IUPAC name is (2,4,6-trichloro-1H-indol-3-yl)methanol.

Molecular Properties

Compound Name(2,4,6-trichloro-1H-indol-3-yl)methanol
PubChem CID82269577
Molecular FormulaC9H6Cl3NO
Molecular Weight250.51 g/mol
Exact Mass248.95
IUPAC Name(2,4,6-trichloro-1H-indol-3-yl)methanol
SMILESOCc1c(Cl)[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C9H6Cl3NO/c10-4-1-6(11)8-5(3-14)9(12)13-7(8)2-4/h1-2,13-14H,3H2
InChIKeyQXJKNFJLHGCBFQ-UHFFFAOYSA-N
XLogP3.62
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.51
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4,6-dimethyl-1H-indol-3-yl)methanol
CID 82269123
(4,6-dichloro-2-ethyl-1H-indol-3-yl)methanamine
CID 83678500
2-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 5138090
(2,4-dichloro-6-fluorophenyl)methanol
CID 118642652
6,8-dichloro-4-hydroxy-1H-1-benzazepine-2,5-dione
CID 54732816
2-(4,6-dichloro-1H-indol-3-yl)ethanol
CID 21099158
4,6-dichloro-3-[(2-methylpropanoylamino)methyl]-1H-indole-2-carboxylic acid
CID 82214061
5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid
CID 1779
2-(5,7-dichloro-4-oxo-1H-quinolin-2-yl)acetamide
CID 25174765
2-[4,6-dichloro-2-(2,4-dimethylphenyl)-1H-indol-3-yl]acetic acid
CID 4588071
3-(3-bromo-4,6-dichloro-1H-indol-2-yl)propanoic acid
CID 54049187
4-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3919387

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trichloro-1H-indol-3-yl)methanol?
The IUPAC name of (2,4,6-trichloro-1H-indol-3-yl)methanol (CID 82269577) is (2,4,6-trichloro-1H-indol-3-yl)methanol.
What is the SMILES notation for (2,4,6-trichloro-1H-indol-3-yl)methanol?
The canonical SMILES for (2,4,6-trichloro-1H-indol-3-yl)methanol is OCc1c(Cl)[nH]c2cc(Cl)cc(Cl)c12.
What is the InChIKey of (2,4,6-trichloro-1H-indol-3-yl)methanol?
The InChIKey is QXJKNFJLHGCBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl3NO/c10-4-1-6(11)8-5(3-14)9(12)13-7(8)2-4/h1-2,13-14H,3H2.
What are the key properties of (2,4,6-trichloro-1H-indol-3-yl)methanol?
(2,4,6-trichloro-1H-indol-3-yl)methanol has a molecular weight of 250.51 g/mol, XLogP of 3.62, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trichloro-1H-indol-3-yl)methanol is sourced from PubChem (CID 82269577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).