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

C11H12ClNO — CID 82269123

IUPAC(2-chloro-4,6-dimethyl-1H-indol-3-yl)methanol
SMILESCc1cc(C)c2c(CO)c(Cl)[nH]c2c1
InChIInChI=1S/C11H12ClNO/c1-6-3-7(2)10-8(5-14)11(12)13-9(10)4-6/h3-4,13-14H,5H2,1-2H3
InChIKeyVMPORLVBQMQLMS-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.93
Rot. Bonds1

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

(2-chloro-4,6-dimethyl-1H-indol-3-yl)methanol (PubChem CID 82269123) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is (2-chloro-4,6-dimethyl-1H-indol-3-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4,6-dimethyl-1H-indol-3-yl)methanol
PubChem CID82269123
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name(2-chloro-4,6-dimethyl-1H-indol-3-yl)methanol
SMILESCc1cc(C)c2c(CO)c(Cl)[nH]c2c1
InChIInChI=1S/C11H12ClNO/c1-6-3-7(2)10-8(5-14)11(12)13-9(10)4-6/h3-4,13-14H,5H2,1-2H3
InChIKeyVMPORLVBQMQLMS-UHFFFAOYSA-N
XLogP2.93
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4,6-trichloro-1H-indol-3-yl)methanol
CID 82269577
2-chloro-4,6-dimethyl-1H-indole-3-carboxylic acid
CID 82269122
N-[(2,4,6-trimethyl-1H-indol-3-yl)methyl]ethanamine
CID 65335151
3-ethyl-4,6-dimethyl-1H-indole-2-carboxylic acid
CID 84622568
ethane;(2,4,6-trimethylphenyl)methanol
CID 143599991
3-ethyl-4-hydroxy-5,7-dimethyl-1H-quinolin-2-one
CID 54725926
2-[4,6-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 3967838
2-[2-(2,3-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid
CID 3394967
4-[2-(2,6-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3449867
2-(4,6-dimethyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine
CID 84741686
5,7-dimethyl-9H-carbazol-3-ol
CID 171714931
(2,6-dichloro-7-methyl-1H-indol-3-yl)methanol
CID 82269427

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,6-dimethyl-1H-indol-3-yl)methanol?
The IUPAC name of (2-chloro-4,6-dimethyl-1H-indol-3-yl)methanol (CID 82269123) is (2-chloro-4,6-dimethyl-1H-indol-3-yl)methanol.
What is the SMILES notation for (2-chloro-4,6-dimethyl-1H-indol-3-yl)methanol?
The canonical SMILES for (2-chloro-4,6-dimethyl-1H-indol-3-yl)methanol is Cc1cc(C)c2c(CO)c(Cl)[nH]c2c1.
What is the InChIKey of (2-chloro-4,6-dimethyl-1H-indol-3-yl)methanol?
The InChIKey is VMPORLVBQMQLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-6-3-7(2)10-8(5-14)11(12)13-9(10)4-6/h3-4,13-14H,5H2,1-2H3.
What are the key properties of (2-chloro-4,6-dimethyl-1H-indol-3-yl)methanol?
(2-chloro-4,6-dimethyl-1H-indol-3-yl)methanol has a molecular weight of 209.68 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,6-dimethyl-1H-indol-3-yl)methanol is sourced from PubChem (CID 82269123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).