2-hydroxy-5-propylcyclohepta-2,4,6-trien-1-one

C10H12O2 — CID 130028653

IUPAC2-hydroxy-5-propylcyclohepta-2,4,6-trien-1-one
SMILESCCCc1ccc(O)c(=O)cc1
InChIInChI=1S/C10H12O2/c1-2-3-8-4-6-9(11)10(12)7-5-8/h4-7H,2-3H2,1H3,(H,11,12)
InChIKeyLNGRTSNVERRNMK-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.70
Rot. Bonds2

About 2-hydroxy-5-propylcyclohepta-2,4,6-trien-1-one

2-hydroxy-5-propylcyclohepta-2,4,6-trien-1-one (PubChem CID 130028653) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-hydroxy-5-propylcyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-hydroxy-5-propylcyclohepta-2,4,6-trien-1-one
PubChem CID130028653
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-hydroxy-5-propylcyclohepta-2,4,6-trien-1-one
SMILESCCCc1ccc(O)c(=O)cc1
InChIInChI=1S/C10H12O2/c1-2-3-8-4-6-9(11)10(12)7-5-8/h4-7H,2-3H2,1H3,(H,11,12)
InChIKeyLNGRTSNVERRNMK-UHFFFAOYSA-N
XLogP1.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-hydroxy-5-propylcyclohepta-2,4,6-trien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;4-propylbenzene-1,2-diol;hydrobromide
CID 18923739
2-ethyl-5-propylphenol
CID 522454
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
(2-hydroxy-5-propylphenyl)methanediol
CID 139434284
1-(4-propylphenyl)propan-2-one
CID 82490574
2-(aminomethyl)-4-propylphenol
CID 12652118
bis(4-propylphenyl)phosphinic acid
CID 135350466
ethane;4-propylbenzoic acid
CID 91047964
ethane;2-methoxy-4-propylphenol
CID 144852330
1-fluoro-4-propylbenzene
CID 2737505
cadmium(2+);bis(4-propylbenzoate)
CID 101299923
4-[3-[4-(4-propylphenyl)phenyl]propyl]phenol
CID 59265255

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-propylcyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-hydroxy-5-propylcyclohepta-2,4,6-trien-1-one (CID 130028653) is 2-hydroxy-5-propylcyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-hydroxy-5-propylcyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-hydroxy-5-propylcyclohepta-2,4,6-trien-1-one is CCCc1ccc(O)c(=O)cc1.
What is the InChIKey of 2-hydroxy-5-propylcyclohepta-2,4,6-trien-1-one?
The InChIKey is LNGRTSNVERRNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-3-8-4-6-9(11)10(12)7-5-8/h4-7H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-hydroxy-5-propylcyclohepta-2,4,6-trien-1-one?
2-hydroxy-5-propylcyclohepta-2,4,6-trien-1-one has a molecular weight of 164.20 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-propylcyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 130028653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).