(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol

C22H22O5 — CID 69205412

IUPAC(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol
SMILESOC(C1=COC=C(CC2=CC=CCC2)O1)C1=COC=C(C2=CC=CCC2)O1
InChIInChI=1S/C22H22O5/c23-22(21-15-25-13-19(27-21)17-9-5-2-6-10-17)20-14-24-12-18(26-20)11-16-7-3-1-4-8-16/h1-3,5,7,9,12-15,22-23H,4,6,8,10-11H2
InChIKeyIJTQYDTUVGOZHF-UHFFFAOYSA-N
MW366.41 g/mol
LogP4.75
Rot. Bonds5

About (6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol

(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol (PubChem CID 69205412) has the molecular formula C22H22O5 and a molecular weight of 366.41 g/mol. Its IUPAC name is (6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol.

Molecular Properties

Compound Name(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol
PubChem CID69205412
Molecular FormulaC22H22O5
Molecular Weight366.41 g/mol
Exact Mass366.15
IUPAC Name(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol
SMILESOC(C1=COC=C(CC2=CC=CCC2)O1)C1=COC=C(C2=CC=CCC2)O1
InChIInChI=1S/C22H22O5/c23-22(21-15-25-13-19(27-21)17-9-5-2-6-10-17)20-14-24-12-18(26-20)11-16-7-3-1-4-8-16/h1-3,5,7,9,12-15,22-23H,4,6,8,10-11H2
InChIKeyIJTQYDTUVGOZHF-UHFFFAOYSA-N
XLogP4.75
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,6-Dimethoxy-3-prop-2-enylcyclohexa-3,5-diene-1,2-diol
CID 124032593
1,3-bis(4aH-benzo[c]chromen-1-yloxy)propan-2-ol
CID 88661402
cis-(1S,2R)-2-[(3Z)-3-[(E)-2,3-dimethoxyprop-1-enyl]hexa-3,5-dienoxy]cyclohexan-1-ol
CID 89519448
Bis[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol
CID 91584549
(2R,3S)-3-cyclohexa-1,3-dien-1-yl-3-[(1R)-6-ethoxycyclohex-3-en-1-yl]oxypropane-1,2-diol
CID 141776109
(2R,3S)-3-cyclohexa-1,3-dien-1-yl-3-[(6S)-6-methylcyclohexa-1,3,4-trien-1-yl]oxypropane-1,2-diol
CID 141776110
2-[6-[(3Z,5E)-3-ethenyl-5-methoxyhepta-3,5-dienyl]cyclohexa-1,5-dien-1-yl]oxyethanol
CID 142295513
2-[(3Z)-5-(4-pentoxycyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-yl]oxyethanol
CID 145295368
methane;(1S)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;bis(yttrium)
CID 157161955
(1S)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2S)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;bis(yttrium)
CID 160745831
(E)-4-ethenyl-2-[(3E)-4-methoxypenta-1,3-dien-3-yl]oxyhex-4-ene-1,3-diol
CID 101551755

Frequently Asked Questions

What is the IUPAC name of (6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol?
The IUPAC name of (6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol (CID 69205412) is (6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol.
What is the SMILES notation for (6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol?
The canonical SMILES for (6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol is OC(C1=COC=C(CC2=CC=CCC2)O1)C1=COC=C(C2=CC=CCC2)O1.
What is the InChIKey of (6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol?
The InChIKey is IJTQYDTUVGOZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O5/c23-22(21-15-25-13-19(27-21)17-9-5-2-6-10-17)20-14-24-12-18(26-20)11-16-7-3-1-4-8-16/h1-3,5,7,9,12-15,22-23H,4,6,8,10-11H2.
What are the key properties of (6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol?
(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol has a molecular weight of 366.41 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol is sourced from PubChem (CID 69205412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).