(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)methanol

C10H12ClNO — CID 83915926

IUPAC(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)methanol
SMILESCc1c(Cl)ccc2c1NCC2CO
InChIInChI=1S/C10H12ClNO/c1-6-9(11)3-2-8-7(5-13)4-12-10(6)8/h2-3,7,12-13H,4-5H2,1H3
InChIKeyZLYXKRLMWNEHKZ-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.15
Rot. Bonds1

About (6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)methanol

(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)methanol (PubChem CID 83915926) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is (6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)methanol.

Molecular Properties

Compound Name(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)methanol
PubChem CID83915926
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)methanol
SMILESCc1c(Cl)ccc2c1NCC2CO
InChIInChI=1S/C10H12ClNO/c1-6-9(11)3-2-8-7(5-13)4-12-10(6)8/h2-3,7,12-13H,4-5H2,1H3
InChIKeyZLYXKRLMWNEHKZ-UHFFFAOYSA-N
XLogP2.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)methanol?
The IUPAC name of (6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)methanol (CID 83915926) is (6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)methanol.
What is the SMILES notation for (6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)methanol?
The canonical SMILES for (6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)methanol is Cc1c(Cl)ccc2c1NCC2CO.
What is the InChIKey of (6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)methanol?
The InChIKey is ZLYXKRLMWNEHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-6-9(11)3-2-8-7(5-13)4-12-10(6)8/h2-3,7,12-13H,4-5H2,1H3.
What are the key properties of (6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)methanol?
(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)methanol has a molecular weight of 197.66 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)methanol is sourced from PubChem (CID 83915926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).