(3,4-dihydroxycyclohexa-1,5-dien-1-yl) diphenyl phosphate

C18H17O6P — CID 165361374

IUPAC(3,4-dihydroxycyclohexa-1,5-dien-1-yl) diphenyl phosphate
SMILESO=P(OC1=CC(O)C(O)C=C1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H17O6P/c19-17-12-11-16(13-18(17)20)24-25(21,22-14-7-3-1-4-8-14)23-15-9-5-2-6-10-15/h1-13,17-20H
InChIKeyAQGFRTHZQKTVJW-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.44
Rot. Bonds6

About (3,4-dihydroxycyclohexa-1,5-dien-1-yl) diphenyl phosphate

(3,4-dihydroxycyclohexa-1,5-dien-1-yl) diphenyl phosphate (PubChem CID 165361374) has the molecular formula C18H17O6P and a molecular weight of 360.30 g/mol. Its IUPAC name is (3,4-dihydroxycyclohexa-1,5-dien-1-yl) diphenyl phosphate.

Molecular Properties

Compound Name(3,4-dihydroxycyclohexa-1,5-dien-1-yl) diphenyl phosphate
PubChem CID165361374
Molecular FormulaC18H17O6P
Molecular Weight360.30 g/mol
Exact Mass360.08
IUPAC Name(3,4-dihydroxycyclohexa-1,5-dien-1-yl) diphenyl phosphate
SMILESO=P(OC1=CC(O)C(O)C=C1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H17O6P/c19-17-12-11-16(13-18(17)20)24-25(21,22-14-7-3-1-4-8-14)23-15-9-5-2-6-10-15/h1-13,17-20H
InChIKeyAQGFRTHZQKTVJW-UHFFFAOYSA-N
XLogP3.44
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3-hydroperoxy-4-hydroxycyclohexa-1,5-dien-1-yl) diphenyl phosphate
CID 165361372
2-methylpropane;triphenyl phosphate
CID 91193965
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
tris(4-phenoxyphenyl) phosphate
CID 70576220
benzhydryl diphenyl phosphate
CID 13353620
dimethyl phenyl phosphate;ethane;trimethyl phosphate
CID 90867053
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
hydroxy phenyl (4-phenylphenyl) phosphate
CID 139950736
bis(2-methylphenyl) phenyl phosphate
CID 14618640
tris[4-(1-phenylethyl)phenyl] phosphate
CID 519343
CID 175741196
CID 175741196

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxycyclohexa-1,5-dien-1-yl) diphenyl phosphate?
The IUPAC name of (3,4-dihydroxycyclohexa-1,5-dien-1-yl) diphenyl phosphate (CID 165361374) is (3,4-dihydroxycyclohexa-1,5-dien-1-yl) diphenyl phosphate.
What is the SMILES notation for (3,4-dihydroxycyclohexa-1,5-dien-1-yl) diphenyl phosphate?
The canonical SMILES for (3,4-dihydroxycyclohexa-1,5-dien-1-yl) diphenyl phosphate is O=P(OC1=CC(O)C(O)C=C1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of (3,4-dihydroxycyclohexa-1,5-dien-1-yl) diphenyl phosphate?
The InChIKey is AQGFRTHZQKTVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17O6P/c19-17-12-11-16(13-18(17)20)24-25(21,22-14-7-3-1-4-8-14)23-15-9-5-2-6-10-15/h1-13,17-20H.
What are the key properties of (3,4-dihydroxycyclohexa-1,5-dien-1-yl) diphenyl phosphate?
(3,4-dihydroxycyclohexa-1,5-dien-1-yl) diphenyl phosphate has a molecular weight of 360.30 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxycyclohexa-1,5-dien-1-yl) diphenyl phosphate is sourced from PubChem (CID 165361374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).