4-chloro-6-hydroxy-3-methyl-2-[(Z)-prop-1-enyl]inden-1-one

C13H11ClO2 — CID 134268959

IUPAC4-chloro-6-hydroxy-3-methyl-2-[(Z)-prop-1-enyl]inden-1-one
SMILESC/C=C\C1=C(C)c2c(Cl)cc(O)cc2C1=O
InChIInChI=1S/C13H11ClO2/c1-3-4-9-7(2)12-10(13(9)16)5-8(15)6-11(12)14/h3-6,15H,1-2H3/b4-3-
InChIKeyHGLHJVDOCIPOAY-ARJAWSKDSA-N
MW234.68 g/mol
LogP3.59
Rot. Bonds1

About 4-chloro-6-hydroxy-3-methyl-2-[(Z)-prop-1-enyl]inden-1-one

4-chloro-6-hydroxy-3-methyl-2-[(Z)-prop-1-enyl]inden-1-one (PubChem CID 134268959) has the molecular formula C13H11ClO2 and a molecular weight of 234.68 g/mol. Its IUPAC name is 4-chloro-6-hydroxy-3-methyl-2-[(Z)-prop-1-enyl]inden-1-one.

Molecular Properties

Compound Name4-chloro-6-hydroxy-3-methyl-2-[(Z)-prop-1-enyl]inden-1-one
PubChem CID134268959
Molecular FormulaC13H11ClO2
Molecular Weight234.68 g/mol
Exact Mass234.04
IUPAC Name4-chloro-6-hydroxy-3-methyl-2-[(Z)-prop-1-enyl]inden-1-one
SMILESC/C=C\C1=C(C)c2c(Cl)cc(O)cc2C1=O
InChIInChI=1S/C13H11ClO2/c1-3-4-9-7(2)12-10(13(9)16)5-8(15)6-11(12)14/h3-6,15H,1-2H3/b4-3-
InChIKeyHGLHJVDOCIPOAY-ARJAWSKDSA-N
XLogP3.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-hydroxy-3-methyl-2-[(Z)-prop-1-enyl]inden-1-one?
The IUPAC name of 4-chloro-6-hydroxy-3-methyl-2-[(Z)-prop-1-enyl]inden-1-one (CID 134268959) is 4-chloro-6-hydroxy-3-methyl-2-[(Z)-prop-1-enyl]inden-1-one.
What is the SMILES notation for 4-chloro-6-hydroxy-3-methyl-2-[(Z)-prop-1-enyl]inden-1-one?
The canonical SMILES for 4-chloro-6-hydroxy-3-methyl-2-[(Z)-prop-1-enyl]inden-1-one is C/C=C\C1=C(C)c2c(Cl)cc(O)cc2C1=O.
What is the InChIKey of 4-chloro-6-hydroxy-3-methyl-2-[(Z)-prop-1-enyl]inden-1-one?
The InChIKey is HGLHJVDOCIPOAY-ARJAWSKDSA-N. The full InChI is InChI=1S/C13H11ClO2/c1-3-4-9-7(2)12-10(13(9)16)5-8(15)6-11(12)14/h3-6,15H,1-2H3/b4-3-.
What are the key properties of 4-chloro-6-hydroxy-3-methyl-2-[(Z)-prop-1-enyl]inden-1-one?
4-chloro-6-hydroxy-3-methyl-2-[(Z)-prop-1-enyl]inden-1-one has a molecular weight of 234.68 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-hydroxy-3-methyl-2-[(Z)-prop-1-enyl]inden-1-one is sourced from PubChem (CID 134268959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).