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

C23H24O5 — CID 91584549

IUPACbis[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol
SMILESOC(C1=COC=C(CC2=CC=CCC2)O1)C1=COC=C(CC2=CC=CCC2)O1
InChIInChI=1S/C23H24O5/c24-23(21-15-25-13-19(27-21)11-17-7-3-1-4-8-17)22-16-26-14-20(28-22)12-18-9-5-2-6-10-18/h1-3,5,7,9,13-16,23-24H,4,6,8,10-12H2
InChIKeyORVVXYNYCKJPNU-UHFFFAOYSA-N
MW380.44 g/mol
LogP5.14
Rot. Bonds6

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

bis[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol (PubChem CID 91584549) has the molecular formula C23H24O5 and a molecular weight of 380.44 g/mol. Its IUPAC name is bis[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol.

Molecular Properties

Compound Namebis[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol
PubChem CID91584549
Molecular FormulaC23H24O5
Molecular Weight380.44 g/mol
Exact Mass380.16
IUPAC Namebis[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol
SMILESOC(C1=COC=C(CC2=CC=CCC2)O1)C1=COC=C(CC2=CC=CCC2)O1
InChIInChI=1S/C23H24O5/c24-23(21-15-25-13-19(27-21)11-17-7-3-1-4-8-17)22-16-26-14-20(28-22)12-18-9-5-2-6-10-18/h1-3,5,7,9,13-16,23-24H,4,6,8,10-12H2
InChIKeyORVVXYNYCKJPNU-UHFFFAOYSA-N
XLogP5.14
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol
CID 91131453
8-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxine-2-carbonyl]-8-azabicyclo[3.2.1]octan-3-one
CID 90860238
2-[2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethenyl]pyridine
CID 91182237
5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxine-2-carbaldehyde
CID 90911657
2-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-oxathiine
CID 90732158
[1-[2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-2-hydroxyethyl]piperidin-4-yl]-(4-methoxy-1,3-benzothiazol-2-yl)methanone
CID 91457220
5-(aminomethyl)-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one
CID 91357095
N-[2-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethyl]acetamide
CID 91483129
N-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-piperidin-1-ylbenzamide
CID 91371366
1-cyclohexa-1,3-dien-1-ylpropan-2-ol
CID 14937169
3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-6-ethyl-7-hydroxy-2-methylchromen-4-one
CID 91207892
2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,6-naphthyridine-4-carboxylic acid
CID 90947456

Frequently Asked Questions

What is the IUPAC name of bis[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol?
The IUPAC name of bis[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol (CID 91584549) is bis[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol.
What is the SMILES notation for bis[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol?
The canonical SMILES for bis[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(CC2=CC=CCC2)O1.
What is the InChIKey of bis[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol?
The InChIKey is ORVVXYNYCKJPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O5/c24-23(21-15-25-13-19(27-21)11-17-7-3-1-4-8-17)22-16-26-14-20(28-22)12-18-9-5-2-6-10-18/h1-3,5,7,9,13-16,23-24H,4,6,8,10-12H2.
What are the key properties of bis[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol?
bis[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol has a molecular weight of 380.44 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol is sourced from PubChem (CID 91584549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).