6-ethyl-2-hydroxycyclohepta-2,4,6-trien-1-one

C9H10O2 — CID 3659999

IUPAC6-ethyl-2-hydroxycyclohepta-2,4,6-trien-1-one
SMILESCCc1cccc(O)c(=O)c1
InChIInChI=1S/C9H10O2/c1-2-7-4-3-5-8(10)9(11)6-7/h3-6H,2H2,1H3,(H,10,11)
InChIKeyFEOPDZDAOISPAD-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.31
Rot. Bonds1

About 6-ethyl-2-hydroxycyclohepta-2,4,6-trien-1-one

6-ethyl-2-hydroxycyclohepta-2,4,6-trien-1-one (PubChem CID 3659999) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 6-ethyl-2-hydroxycyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name6-ethyl-2-hydroxycyclohepta-2,4,6-trien-1-one
PubChem CID3659999
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name6-ethyl-2-hydroxycyclohepta-2,4,6-trien-1-one
SMILESCCc1cccc(O)c(=O)c1
InChIInChI=1S/C9H10O2/c1-2-7-4-3-5-8(10)9(11)6-7/h3-6H,2H2,1H3,(H,10,11)
InChIKeyFEOPDZDAOISPAD-UHFFFAOYSA-N
XLogP1.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-hydroxycyclohepta-2,4,6-trien-1-one?
The IUPAC name of 6-ethyl-2-hydroxycyclohepta-2,4,6-trien-1-one (CID 3659999) is 6-ethyl-2-hydroxycyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 6-ethyl-2-hydroxycyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 6-ethyl-2-hydroxycyclohepta-2,4,6-trien-1-one is CCc1cccc(O)c(=O)c1.
What is the InChIKey of 6-ethyl-2-hydroxycyclohepta-2,4,6-trien-1-one?
The InChIKey is FEOPDZDAOISPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-7-4-3-5-8(10)9(11)6-7/h3-6H,2H2,1H3,(H,10,11).
What are the key properties of 6-ethyl-2-hydroxycyclohepta-2,4,6-trien-1-one?
6-ethyl-2-hydroxycyclohepta-2,4,6-trien-1-one has a molecular weight of 150.18 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-hydroxycyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 3659999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).