(3Z,5Z)-1,8-diphenoxyocta-3,5-diene-2,7-diol

C20H22O4 — CID 14026776

IUPAC(3Z,5Z)-1,8-diphenoxyocta-3,5-diene-2,7-diol
SMILESOC(/C=C\C=C/C(O)COc1ccccc1)COc1ccccc1
InChIInChI=1S/C20H22O4/c21-17(15-23-19-11-3-1-4-12-19)9-7-8-10-18(22)16-24-20-13-5-2-6-14-20/h1-14,17-18,21-22H,15-16H2/b9-7-,10-8-
InChIKeyFFOJVMCKYUHVAD-XOHWUJONSA-N
MW326.39 g/mol
LogP2.98
Rot. Bonds9

About (3Z,5Z)-1,8-diphenoxyocta-3,5-diene-2,7-diol

(3Z,5Z)-1,8-diphenoxyocta-3,5-diene-2,7-diol (PubChem CID 14026776) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is (3Z,5Z)-1,8-diphenoxyocta-3,5-diene-2,7-diol.

Molecular Properties

Compound Name(3Z,5Z)-1,8-diphenoxyocta-3,5-diene-2,7-diol
PubChem CID14026776
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name(3Z,5Z)-1,8-diphenoxyocta-3,5-diene-2,7-diol
SMILESOC(/C=C\C=C/C(O)COc1ccccc1)COc1ccccc1
InChIInChI=1S/C20H22O4/c21-17(15-23-19-11-3-1-4-12-19)9-7-8-10-18(22)16-24-20-13-5-2-6-14-20/h1-14,17-18,21-22H,15-16H2/b9-7-,10-8-
InChIKeyFFOJVMCKYUHVAD-XOHWUJONSA-N
XLogP2.98
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6Z,8E,10E)-5,12-dihydroxy-13-phenoxytrideca-6,8,10-trienoic acid
CID 88681398
(2S)-1-phenoxybut-3-en-2-ol
CID 137281228
2-(phenoxymethyl)propane-1,1,3,3-tetrol
CID 173269975
2-hydroxy-3-phenoxypropanoic acid
CID 67592895
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
3-phenoxypropane-1,2-diol
CID 158587241
ethane;1-phenoxypropan-2-ol
CID 90926921
3-phenoxypropane-1,2-diol
CID 10857
3,3-dimethyl-1-phenoxybutan-2-ol;ethane
CID 162239037
2-[(2S,3R)-13-(4-fluorophenoxy)-2,3,12-trihydroxytrideca-4,6,8,10-tetraenoxy]acetic acid
CID 90834831
(11E,13R)-13-hydroxy-14-phenoxytetradeca-1,11-dien-3-one
CID 167222940
(2R,3S)-1-phenoxybutane-2,3-diol
CID 91247113

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-1,8-diphenoxyocta-3,5-diene-2,7-diol?
The IUPAC name of (3Z,5Z)-1,8-diphenoxyocta-3,5-diene-2,7-diol (CID 14026776) is (3Z,5Z)-1,8-diphenoxyocta-3,5-diene-2,7-diol.
What is the SMILES notation for (3Z,5Z)-1,8-diphenoxyocta-3,5-diene-2,7-diol?
The canonical SMILES for (3Z,5Z)-1,8-diphenoxyocta-3,5-diene-2,7-diol is OC(/C=C\C=C/C(O)COc1ccccc1)COc1ccccc1.
What is the InChIKey of (3Z,5Z)-1,8-diphenoxyocta-3,5-diene-2,7-diol?
The InChIKey is FFOJVMCKYUHVAD-XOHWUJONSA-N. The full InChI is InChI=1S/C20H22O4/c21-17(15-23-19-11-3-1-4-12-19)9-7-8-10-18(22)16-24-20-13-5-2-6-14-20/h1-14,17-18,21-22H,15-16H2/b9-7-,10-8-.
What are the key properties of (3Z,5Z)-1,8-diphenoxyocta-3,5-diene-2,7-diol?
(3Z,5Z)-1,8-diphenoxyocta-3,5-diene-2,7-diol has a molecular weight of 326.39 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-1,8-diphenoxyocta-3,5-diene-2,7-diol is sourced from PubChem (CID 14026776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).