2-(4-chloro-1-methylindol-5-yl)propan-1-ol

C12H14ClNO — CID 117321121

IUPAC2-(4-chloro-1-methylindol-5-yl)propan-1-ol
SMILESCC(CO)c1ccc2c(ccn2C)c1Cl
InChIInChI=1S/C12H14ClNO/c1-8(7-15)9-3-4-11-10(12(9)13)5-6-14(11)2/h3-6,8,15H,7H2,1-2H3
InChIKeyRJYJKODGOCFYPZ-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.93
Rot. Bonds2

About 2-(4-chloro-1-methylindol-5-yl)propan-1-ol

2-(4-chloro-1-methylindol-5-yl)propan-1-ol (PubChem CID 117321121) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 2-(4-chloro-1-methylindol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-chloro-1-methylindol-5-yl)propan-1-ol
PubChem CID117321121
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name2-(4-chloro-1-methylindol-5-yl)propan-1-ol
SMILESCC(CO)c1ccc2c(ccn2C)c1Cl
InChIInChI=1S/C12H14ClNO/c1-8(7-15)9-3-4-11-10(12(9)13)5-6-14(11)2/h3-6,8,15H,7H2,1-2H3
InChIKeyRJYJKODGOCFYPZ-UHFFFAOYSA-N
XLogP2.93
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-methylindol-5-yl)propan-1-ol?
The IUPAC name of 2-(4-chloro-1-methylindol-5-yl)propan-1-ol (CID 117321121) is 2-(4-chloro-1-methylindol-5-yl)propan-1-ol.
What is the SMILES notation for 2-(4-chloro-1-methylindol-5-yl)propan-1-ol?
The canonical SMILES for 2-(4-chloro-1-methylindol-5-yl)propan-1-ol is CC(CO)c1ccc2c(ccn2C)c1Cl.
What is the InChIKey of 2-(4-chloro-1-methylindol-5-yl)propan-1-ol?
The InChIKey is RJYJKODGOCFYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-8(7-15)9-3-4-11-10(12(9)13)5-6-14(11)2/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 2-(4-chloro-1-methylindol-5-yl)propan-1-ol?
2-(4-chloro-1-methylindol-5-yl)propan-1-ol has a molecular weight of 223.70 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-methylindol-5-yl)propan-1-ol is sourced from PubChem (CID 117321121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).