2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol

C11H14ClNO — CID 117202115

IUPAC2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol
SMILESCC(C)(O)C1CNc2ccc(Cl)cc21
InChIInChI=1S/C11H14ClNO/c1-11(2,14)9-6-13-10-4-3-7(12)5-8(9)10/h3-5,9,13-14H,6H2,1-2H3
InChIKeyHWDQDXWTZSUFCP-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.62
Rot. Bonds1

About 2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol

2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol (PubChem CID 117202115) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol
PubChem CID117202115
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol
SMILESCC(C)(O)C1CNc2ccc(Cl)cc21
InChIInChI=1S/C11H14ClNO/c1-11(2,14)9-6-13-10-4-3-7(12)5-8(9)10/h3-5,9,13-14H,6H2,1-2H3
InChIKeyHWDQDXWTZSUFCP-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole
CID 95430825
3-(1,1-difluoroethyl)-5-fluoro-2,3-dihydro-1H-indole
CID 84669875
3-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986085
2-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetaldehyde
CID 112711571
5-methyl-3-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole
CID 106820145
2-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzothiazine
CID 84630156
5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole
CID 106985998
ethyl 3-(5-chloro-2,3-dihydro-1H-indol-3-yl)propanoate
CID 70824239
1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine
CID 105464651
6-chloro-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 105463734
4-(6-chloro-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl)morpholine
CID 82275757
5-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106986426

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol (CID 117202115) is 2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol is CC(C)(O)C1CNc2ccc(Cl)cc21.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol?
The InChIKey is HWDQDXWTZSUFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-11(2,14)9-6-13-10-4-3-7(12)5-8(9)10/h3-5,9,13-14H,6H2,1-2H3.
What are the key properties of 2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol?
2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol has a molecular weight of 211.69 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol is sourced from PubChem (CID 117202115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).