(4E)-2-methoxy-4-prop-2-enylidenecyclohexa-2,5-dien-1-one

C10H10O2 — CID 71448980

IUPAC(4E)-2-methoxy-4-prop-2-enylidenecyclohexa-2,5-dien-1-one
SMILESC=C/C=C1\C=CC(=O)C(OC)=C1
InChIInChI=1S/C10H10O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7H,1H2,2H3/b8-4+
InChIKeyCDFKJSCCQGJMHM-XBXARRHUSA-N
MW162.19 g/mol
LogP1.77
Rot. Bonds2

About (4E)-2-methoxy-4-prop-2-enylidenecyclohexa-2,5-dien-1-one

(4E)-2-methoxy-4-prop-2-enylidenecyclohexa-2,5-dien-1-one (PubChem CID 71448980) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (4E)-2-methoxy-4-prop-2-enylidenecyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name(4E)-2-methoxy-4-prop-2-enylidenecyclohexa-2,5-dien-1-one
PubChem CID71448980
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(4E)-2-methoxy-4-prop-2-enylidenecyclohexa-2,5-dien-1-one
SMILESC=C/C=C1\C=CC(=O)C(OC)=C1
InChIInChI=1S/C10H10O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7H,1H2,2H3/b8-4+
InChIKeyCDFKJSCCQGJMHM-XBXARRHUSA-N
XLogP1.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-methoxy-4-prop-2-enylidenecyclohexa-2,5-dien-1-one?
The IUPAC name of (4E)-2-methoxy-4-prop-2-enylidenecyclohexa-2,5-dien-1-one (CID 71448980) is (4E)-2-methoxy-4-prop-2-enylidenecyclohexa-2,5-dien-1-one.
What is the SMILES notation for (4E)-2-methoxy-4-prop-2-enylidenecyclohexa-2,5-dien-1-one?
The canonical SMILES for (4E)-2-methoxy-4-prop-2-enylidenecyclohexa-2,5-dien-1-one is C=C/C=C1\C=CC(=O)C(OC)=C1.
What is the InChIKey of (4E)-2-methoxy-4-prop-2-enylidenecyclohexa-2,5-dien-1-one?
The InChIKey is CDFKJSCCQGJMHM-XBXARRHUSA-N. The full InChI is InChI=1S/C10H10O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7H,1H2,2H3/b8-4+.
What are the key properties of (4E)-2-methoxy-4-prop-2-enylidenecyclohexa-2,5-dien-1-one?
(4E)-2-methoxy-4-prop-2-enylidenecyclohexa-2,5-dien-1-one has a molecular weight of 162.19 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-methoxy-4-prop-2-enylidenecyclohexa-2,5-dien-1-one is sourced from PubChem (CID 71448980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).