3-(4-chloro-2-methyl-1H-indol-5-yl)propan-1-ol

C12H14ClNO — CID 117321063

IUPAC3-(4-chloro-2-methyl-1H-indol-5-yl)propan-1-ol
SMILESCc1cc2c(Cl)c(CCCO)ccc2[nH]1
InChIInChI=1S/C12H14ClNO/c1-8-7-10-11(14-8)5-4-9(12(10)13)3-2-6-15/h4-5,7,14-15H,2-3,6H2,1H3
InChIKeyJBZPEYALJXOPJG-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.05
Rot. Bonds3

About 3-(4-chloro-2-methyl-1H-indol-5-yl)propan-1-ol

3-(4-chloro-2-methyl-1H-indol-5-yl)propan-1-ol (PubChem CID 117321063) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 3-(4-chloro-2-methyl-1H-indol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-2-methyl-1H-indol-5-yl)propan-1-ol
PubChem CID117321063
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name3-(4-chloro-2-methyl-1H-indol-5-yl)propan-1-ol
SMILESCc1cc2c(Cl)c(CCCO)ccc2[nH]1
InChIInChI=1S/C12H14ClNO/c1-8-7-10-11(14-8)5-4-9(12(10)13)3-2-6-15/h4-5,7,14-15H,2-3,6H2,1H3
InChIKeyJBZPEYALJXOPJG-UHFFFAOYSA-N
XLogP3.05
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-2-methyl-1H-indol-5-yl)methanol
CID 84666570
4-chloro-2-methyl-1H-indole-5-carboxylic acid
CID 82612258
5-(aminomethyl)-2-methyl-1H-indol-4-ol
CID 82599148
3-(3,5-dimethyl-1H-indol-2-yl)propan-1-ol
CID 170857441
4-amino-2-methyl-1H-indol-5-ol
CID 82415321
[3-(4-chloro-2-methyl-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117411456
4-chloro-2-methyl-5-piperidin-4-yl-1H-indole
CID 115004432
acetic acid;5-chloro-2-methyl-1H-indol-4-amine
CID 174486240
3-(4-chloro-2-fluorophenyl)propan-1-ol
CID 53425229
4-(3-hydroxypropyl)-3-methylphenol
CID 117276402
3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol
CID 170857438
3-[5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol
CID 84636463

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methyl-1H-indol-5-yl)propan-1-ol?
The IUPAC name of 3-(4-chloro-2-methyl-1H-indol-5-yl)propan-1-ol (CID 117321063) is 3-(4-chloro-2-methyl-1H-indol-5-yl)propan-1-ol.
What is the SMILES notation for 3-(4-chloro-2-methyl-1H-indol-5-yl)propan-1-ol?
The canonical SMILES for 3-(4-chloro-2-methyl-1H-indol-5-yl)propan-1-ol is Cc1cc2c(Cl)c(CCCO)ccc2[nH]1.
What is the InChIKey of 3-(4-chloro-2-methyl-1H-indol-5-yl)propan-1-ol?
The InChIKey is JBZPEYALJXOPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-8-7-10-11(14-8)5-4-9(12(10)13)3-2-6-15/h4-5,7,14-15H,2-3,6H2,1H3.
What are the key properties of 3-(4-chloro-2-methyl-1H-indol-5-yl)propan-1-ol?
3-(4-chloro-2-methyl-1H-indol-5-yl)propan-1-ol has a molecular weight of 223.70 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methyl-1H-indol-5-yl)propan-1-ol is sourced from PubChem (CID 117321063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).