6-hydroxy-3-methoxycyclohexa-2,4-dien-1-one

C7H8O3 — CID 154465810

IUPAC6-hydroxy-3-methoxycyclohexa-2,4-dien-1-one
SMILESCOC1=CC(=O)C(O)C=C1
InChIInChI=1S/C7H8O3/c1-10-5-2-3-6(8)7(9)4-5/h2-4,6,8H,1H3
InChIKeyDNVVIDGASWTSNL-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.02
Rot. Bonds1

About 6-hydroxy-3-methoxycyclohexa-2,4-dien-1-one

6-hydroxy-3-methoxycyclohexa-2,4-dien-1-one (PubChem CID 154465810) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 6-hydroxy-3-methoxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-hydroxy-3-methoxycyclohexa-2,4-dien-1-one
PubChem CID154465810
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name6-hydroxy-3-methoxycyclohexa-2,4-dien-1-one
SMILESCOC1=CC(=O)C(O)C=C1
InChIInChI=1S/C7H8O3/c1-10-5-2-3-6(8)7(9)4-5/h2-4,6,8H,1H3
InChIKeyDNVVIDGASWTSNL-UHFFFAOYSA-N
XLogP0.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-methoxycyclohexa-2,4-dien-1-one?
The IUPAC name of 6-hydroxy-3-methoxycyclohexa-2,4-dien-1-one (CID 154465810) is 6-hydroxy-3-methoxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-hydroxy-3-methoxycyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-hydroxy-3-methoxycyclohexa-2,4-dien-1-one is COC1=CC(=O)C(O)C=C1.
What is the InChIKey of 6-hydroxy-3-methoxycyclohexa-2,4-dien-1-one?
The InChIKey is DNVVIDGASWTSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-10-5-2-3-6(8)7(9)4-5/h2-4,6,8H,1H3.
What are the key properties of 6-hydroxy-3-methoxycyclohexa-2,4-dien-1-one?
6-hydroxy-3-methoxycyclohexa-2,4-dien-1-one has a molecular weight of 140.14 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-methoxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 154465810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).