(4,5-dichloro-1-methylindol-2-yl)methanol

C10H9Cl2NO — CID 166762100

IUPAC(4,5-dichloro-1-methylindol-2-yl)methanol
SMILESCn1c(CO)cc2c(Cl)c(Cl)ccc21
InChIInChI=1S/C10H9Cl2NO/c1-13-6(5-14)4-7-9(13)3-2-8(11)10(7)12/h2-4,14H,5H2,1H3
InChIKeyQZETWCXSVFONFZ-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.98
Rot. Bonds1

About (4,5-dichloro-1-methylindol-2-yl)methanol

(4,5-dichloro-1-methylindol-2-yl)methanol (PubChem CID 166762100) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is (4,5-dichloro-1-methylindol-2-yl)methanol.

Molecular Properties

Compound Name(4,5-dichloro-1-methylindol-2-yl)methanol
PubChem CID166762100
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name(4,5-dichloro-1-methylindol-2-yl)methanol
SMILESCn1c(CO)cc2c(Cl)c(Cl)ccc21
InChIInChI=1S/C10H9Cl2NO/c1-13-6(5-14)4-7-9(13)3-2-8(11)10(7)12/h2-4,14H,5H2,1H3
InChIKeyQZETWCXSVFONFZ-UHFFFAOYSA-N
XLogP2.98
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,5-dichloro-1-methylindol-2-yl)methanol?
The IUPAC name of (4,5-dichloro-1-methylindol-2-yl)methanol (CID 166762100) is (4,5-dichloro-1-methylindol-2-yl)methanol.
What is the SMILES notation for (4,5-dichloro-1-methylindol-2-yl)methanol?
The canonical SMILES for (4,5-dichloro-1-methylindol-2-yl)methanol is Cn1c(CO)cc2c(Cl)c(Cl)ccc21.
What is the InChIKey of (4,5-dichloro-1-methylindol-2-yl)methanol?
The InChIKey is QZETWCXSVFONFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c1-13-6(5-14)4-7-9(13)3-2-8(11)10(7)12/h2-4,14H,5H2,1H3.
What are the key properties of (4,5-dichloro-1-methylindol-2-yl)methanol?
(4,5-dichloro-1-methylindol-2-yl)methanol has a molecular weight of 230.09 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloro-1-methylindol-2-yl)methanol is sourced from PubChem (CID 166762100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).