2-hydroxy-3-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one

C10H10O2 — CID 2808275

IUPAC2-hydroxy-3-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one
SMILESC=C(C)c1ccccc(=O)c1O
InChIInChI=1S/C10H10O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-6H,1H2,2H3,(H,11,12)
InChIKeyAYEFINNLGCCCNK-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.79
Rot. Bonds1

About 2-hydroxy-3-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one

2-hydroxy-3-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one (PubChem CID 2808275) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-hydroxy-3-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-hydroxy-3-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one
PubChem CID2808275
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name2-hydroxy-3-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one
SMILESC=C(C)c1ccccc(=O)c1O
InChIInChI=1S/C10H10O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-6H,1H2,2H3,(H,11,12)
InChIKeyAYEFINNLGCCCNK-UHFFFAOYSA-N
XLogP1.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-hydroxy-3-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one (CID 2808275) is 2-hydroxy-3-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-hydroxy-3-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-hydroxy-3-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one is C=C(C)c1ccccc(=O)c1O.
What is the InChIKey of 2-hydroxy-3-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one?
The InChIKey is AYEFINNLGCCCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-6H,1H2,2H3,(H,11,12).
What are the key properties of 2-hydroxy-3-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one?
2-hydroxy-3-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one has a molecular weight of 162.19 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 2808275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).