3-(6-chloro-1H-indol-5-yl)prop-2-en-1-ol

C11H10ClNO — CID 169453478

IUPAC3-(6-chloro-1H-indol-5-yl)prop-2-en-1-ol
SMILESOCC=Cc1cc2cc[nH]c2cc1Cl
InChIInChI=1S/C11H10ClNO/c12-10-7-11-9(3-4-13-11)6-8(10)2-1-5-14/h1-4,6-7,13-14H,5H2
InChIKeyULIOKPBRDCLDRJ-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.83
Rot. Bonds2

About 3-(6-chloro-1H-indol-5-yl)prop-2-en-1-ol

3-(6-chloro-1H-indol-5-yl)prop-2-en-1-ol (PubChem CID 169453478) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 3-(6-chloro-1H-indol-5-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(6-chloro-1H-indol-5-yl)prop-2-en-1-ol
PubChem CID169453478
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name3-(6-chloro-1H-indol-5-yl)prop-2-en-1-ol
SMILESOCC=Cc1cc2cc[nH]c2cc1Cl
InChIInChI=1S/C11H10ClNO/c12-10-7-11-9(3-4-13-11)6-8(10)2-1-5-14/h1-4,6-7,13-14H,5H2
InChIKeyULIOKPBRDCLDRJ-UHFFFAOYSA-N
XLogP2.83
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-dichloro-1H-indole
CID 10487776
2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol
CID 169453261
3-(5-amino-2-chlorophenyl)prop-2-en-1-ol
CID 169453032
3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-ol
CID 169453432
4-(1H-indol-6-yl)but-3-en-1-ol
CID 170476703
(E)-3-(5-fluoro-1H-indol-6-yl)prop-2-en-1-amine
CID 117281812
5,6-dichloro-1H-indole;ethyl formate
CID 174500972
(E)-3-(2,3,4-trichlorophenyl)prop-2-en-1-ol
CID 173058709
4-(6-chloro-1H-indol-5-yl)but-3-ynenitrile
CID 170474996
3-(2-chloroquinolin-3-yl)prop-2-en-1-ol
CID 54467536
5-chloro-3-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one
CID 169453100
(E)-3-(5-methoxy-1H-indol-6-yl)prop-2-en-1-amine
CID 117290958

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1H-indol-5-yl)prop-2-en-1-ol?
The IUPAC name of 3-(6-chloro-1H-indol-5-yl)prop-2-en-1-ol (CID 169453478) is 3-(6-chloro-1H-indol-5-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(6-chloro-1H-indol-5-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(6-chloro-1H-indol-5-yl)prop-2-en-1-ol is OCC=Cc1cc2cc[nH]c2cc1Cl.
What is the InChIKey of 3-(6-chloro-1H-indol-5-yl)prop-2-en-1-ol?
The InChIKey is ULIOKPBRDCLDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c12-10-7-11-9(3-4-13-11)6-8(10)2-1-5-14/h1-4,6-7,13-14H,5H2.
What are the key properties of 3-(6-chloro-1H-indol-5-yl)prop-2-en-1-ol?
3-(6-chloro-1H-indol-5-yl)prop-2-en-1-ol has a molecular weight of 207.66 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1H-indol-5-yl)prop-2-en-1-ol is sourced from PubChem (CID 169453478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).