3-(3-chloro-1-methylindol-7-yl)propan-1-ol

C12H14ClNO — CID 117321059

IUPAC3-(3-chloro-1-methylindol-7-yl)propan-1-ol
SMILESCn1cc(Cl)c2cccc(CCCO)c21
InChIInChI=1S/C12H14ClNO/c1-14-8-11(13)10-6-2-4-9(12(10)14)5-3-7-15/h2,4,6,8,15H,3,5,7H2,1H3
InChIKeyBJBOFLBYUJXHIM-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.76
Rot. Bonds3

About 3-(3-chloro-1-methylindol-7-yl)propan-1-ol

3-(3-chloro-1-methylindol-7-yl)propan-1-ol (PubChem CID 117321059) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 3-(3-chloro-1-methylindol-7-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-chloro-1-methylindol-7-yl)propan-1-ol
PubChem CID117321059
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name3-(3-chloro-1-methylindol-7-yl)propan-1-ol
SMILESCn1cc(Cl)c2cccc(CCCO)c21
InChIInChI=1S/C12H14ClNO/c1-14-8-11(13)10-6-2-4-9(12(10)14)5-3-7-15/h2,4,6,8,15H,3,5,7H2,1H3
InChIKeyBJBOFLBYUJXHIM-UHFFFAOYSA-N
XLogP2.76
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1-methylindol-7-yl)propan-1-ol?
The IUPAC name of 3-(3-chloro-1-methylindol-7-yl)propan-1-ol (CID 117321059) is 3-(3-chloro-1-methylindol-7-yl)propan-1-ol.
What is the SMILES notation for 3-(3-chloro-1-methylindol-7-yl)propan-1-ol?
The canonical SMILES for 3-(3-chloro-1-methylindol-7-yl)propan-1-ol is Cn1cc(Cl)c2cccc(CCCO)c21.
What is the InChIKey of 3-(3-chloro-1-methylindol-7-yl)propan-1-ol?
The InChIKey is BJBOFLBYUJXHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-14-8-11(13)10-6-2-4-9(12(10)14)5-3-7-15/h2,4,6,8,15H,3,5,7H2,1H3.
What are the key properties of 3-(3-chloro-1-methylindol-7-yl)propan-1-ol?
3-(3-chloro-1-methylindol-7-yl)propan-1-ol has a molecular weight of 223.70 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1-methylindol-7-yl)propan-1-ol is sourced from PubChem (CID 117321059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).