2-ethenyl-5-methoxycyclohexa-2,4-dien-1-one

C9H10O2 — CID 19702350

IUPAC2-ethenyl-5-methoxycyclohexa-2,4-dien-1-one
SMILESC=CC1=CC=C(OC)CC1=O
InChIInChI=1S/C9H10O2/c1-3-7-4-5-8(11-2)6-9(7)10/h3-5H,1,6H2,2H3
InChIKeyNEOOZXMYUJHELT-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.60
Rot. Bonds2

About 2-ethenyl-5-methoxycyclohexa-2,4-dien-1-one

2-ethenyl-5-methoxycyclohexa-2,4-dien-1-one (PubChem CID 19702350) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-ethenyl-5-methoxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2-ethenyl-5-methoxycyclohexa-2,4-dien-1-one
PubChem CID19702350
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-ethenyl-5-methoxycyclohexa-2,4-dien-1-one
SMILESC=CC1=CC=C(OC)CC1=O
InChIInChI=1S/C9H10O2/c1-3-7-4-5-8(11-2)6-9(7)10/h3-5H,1,6H2,2H3
InChIKeyNEOOZXMYUJHELT-UHFFFAOYSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-methoxycyclohexa-2,4-dien-1-one?
The IUPAC name of 2-ethenyl-5-methoxycyclohexa-2,4-dien-1-one (CID 19702350) is 2-ethenyl-5-methoxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2-ethenyl-5-methoxycyclohexa-2,4-dien-1-one?
The canonical SMILES for 2-ethenyl-5-methoxycyclohexa-2,4-dien-1-one is C=CC1=CC=C(OC)CC1=O.
What is the InChIKey of 2-ethenyl-5-methoxycyclohexa-2,4-dien-1-one?
The InChIKey is NEOOZXMYUJHELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-3-7-4-5-8(11-2)6-9(7)10/h3-5H,1,6H2,2H3.
What are the key properties of 2-ethenyl-5-methoxycyclohexa-2,4-dien-1-one?
2-ethenyl-5-methoxycyclohexa-2,4-dien-1-one has a molecular weight of 150.18 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-methoxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 19702350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).