6-hydroxy-6-phenoxycyclohexa-2,4-dien-1-one

C12H10O3 — CID 141071783

IUPAC6-hydroxy-6-phenoxycyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1(O)Oc1ccccc1
InChIInChI=1S/C12H10O3/c13-11-8-4-5-9-12(11,14)15-10-6-2-1-3-7-10/h1-9,14H
InChIKeyNNHURRAEPIRGGP-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.45
Rot. Bonds2

About 6-hydroxy-6-phenoxycyclohexa-2,4-dien-1-one

6-hydroxy-6-phenoxycyclohexa-2,4-dien-1-one (PubChem CID 141071783) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 6-hydroxy-6-phenoxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-hydroxy-6-phenoxycyclohexa-2,4-dien-1-one
PubChem CID141071783
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name6-hydroxy-6-phenoxycyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1(O)Oc1ccccc1
InChIInChI=1S/C12H10O3/c13-11-8-4-5-9-12(11,14)15-10-6-2-1-3-7-10/h1-9,14H
InChIKeyNNHURRAEPIRGGP-UHFFFAOYSA-N
XLogP1.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-phenoxycyclohexa-2,4-dien-1-one?
The IUPAC name of 6-hydroxy-6-phenoxycyclohexa-2,4-dien-1-one (CID 141071783) is 6-hydroxy-6-phenoxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-hydroxy-6-phenoxycyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-hydroxy-6-phenoxycyclohexa-2,4-dien-1-one is O=C1C=CC=CC1(O)Oc1ccccc1.
What is the InChIKey of 6-hydroxy-6-phenoxycyclohexa-2,4-dien-1-one?
The InChIKey is NNHURRAEPIRGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c13-11-8-4-5-9-12(11,14)15-10-6-2-1-3-7-10/h1-9,14H.
What are the key properties of 6-hydroxy-6-phenoxycyclohexa-2,4-dien-1-one?
6-hydroxy-6-phenoxycyclohexa-2,4-dien-1-one has a molecular weight of 202.21 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6-phenoxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 141071783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).