[3-[2,3-bis(hydroxymethyl)-4-prop-2-enylphenoxy]-2-(hydroxymethyl)-6-prop-2-enylphenyl]methanol

C22H26O5 — CID 173437645

IUPAC[3-[2,3-bis(hydroxymethyl)-4-prop-2-enylphenoxy]-2-(hydroxymethyl)-6-prop-2-enylphenyl]methanol
SMILESC=CCc1ccc(Oc2ccc(CC=C)c(CO)c2CO)c(CO)c1CO
InChIInChI=1S/C22H26O5/c1-3-5-15-7-9-21(19(13-25)17(15)11-23)27-22-10-8-16(6-4-2)18(12-24)20(22)14-26/h3-4,7-10,23-26H,1-2,5-6,11-14H2
InChIKeyYKKMHVIMHYOAOA-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.91
Rot. Bonds10

About [3-[2,3-bis(hydroxymethyl)-4-prop-2-enylphenoxy]-2-(hydroxymethyl)-6-prop-2-enylphenyl]methanol

[3-[2,3-bis(hydroxymethyl)-4-prop-2-enylphenoxy]-2-(hydroxymethyl)-6-prop-2-enylphenyl]methanol (PubChem CID 173437645) has the molecular formula C22H26O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is [3-[2,3-bis(hydroxymethyl)-4-prop-2-enylphenoxy]-2-(hydroxymethyl)-6-prop-2-enylphenyl]methanol.

Molecular Properties

Compound Name[3-[2,3-bis(hydroxymethyl)-4-prop-2-enylphenoxy]-2-(hydroxymethyl)-6-prop-2-enylphenyl]methanol
PubChem CID173437645
Molecular FormulaC22H26O5
Molecular Weight370.45 g/mol
Exact Mass370.18
IUPAC Name[3-[2,3-bis(hydroxymethyl)-4-prop-2-enylphenoxy]-2-(hydroxymethyl)-6-prop-2-enylphenyl]methanol
SMILESC=CCc1ccc(Oc2ccc(CC=C)c(CO)c2CO)c(CO)c1CO
InChIInChI=1S/C22H26O5/c1-3-5-15-7-9-21(19(13-25)17(15)11-23)27-22-10-8-16(6-4-2)18(12-24)20(22)14-26/h3-4,7-10,23-26H,1-2,5-6,11-14H2
InChIKeyYKKMHVIMHYOAOA-UHFFFAOYSA-N
XLogP2.91
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-[2,3-bis(hydroxymethyl)-4-prop-2-enylphenoxy]-2-(hydroxymethyl)-6-prop-2-enylphenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2,3-bis(hydroxymethyl)-4-[2,3,4-tris(hydroxymethyl)phenoxy]phenyl]methanol
CID 139982730
(4-prop-2-enylnaphthalen-1-yl)methanol
CID 177415182
propane-1,2,3-triol;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene
CID 70576307
phenyl [2,3,4-tris(prop-2-enyl)phenyl] hydrogen phosphate
CID 67292984
1,2,3-triethyl-4-prop-2-enylbenzene
CID 18622289
2,5-dichloro-1-(2,5-dichloro-3-prop-2-enylphenoxy)-3-prop-2-enylbenzene
CID 141308545
(4-fluoro-2-prop-2-enylphenyl)methanol
CID 118307113
2-(2-prop-2-enylnaphthalen-1-yl)ethanol
CID 138550919
4-nitro-1-(4-nitro-2-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 87648427
1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 144777892
2,4-bis(hydroxymethyl)-3-prop-2-enylbenzamide
CID 57160384
azane;7-prop-2-enyl-4-[(7-prop-2-enyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-2,3-dihydro-1-benzofuran;sulfuric acid
CID 173246286

Frequently Asked Questions

What is the IUPAC name of [3-[2,3-bis(hydroxymethyl)-4-prop-2-enylphenoxy]-2-(hydroxymethyl)-6-prop-2-enylphenyl]methanol?
The IUPAC name of [3-[2,3-bis(hydroxymethyl)-4-prop-2-enylphenoxy]-2-(hydroxymethyl)-6-prop-2-enylphenyl]methanol (CID 173437645) is [3-[2,3-bis(hydroxymethyl)-4-prop-2-enylphenoxy]-2-(hydroxymethyl)-6-prop-2-enylphenyl]methanol.
What is the SMILES notation for [3-[2,3-bis(hydroxymethyl)-4-prop-2-enylphenoxy]-2-(hydroxymethyl)-6-prop-2-enylphenyl]methanol?
The canonical SMILES for [3-[2,3-bis(hydroxymethyl)-4-prop-2-enylphenoxy]-2-(hydroxymethyl)-6-prop-2-enylphenyl]methanol is C=CCc1ccc(Oc2ccc(CC=C)c(CO)c2CO)c(CO)c1CO.
What is the InChIKey of [3-[2,3-bis(hydroxymethyl)-4-prop-2-enylphenoxy]-2-(hydroxymethyl)-6-prop-2-enylphenyl]methanol?
The InChIKey is YKKMHVIMHYOAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O5/c1-3-5-15-7-9-21(19(13-25)17(15)11-23)27-22-10-8-16(6-4-2)18(12-24)20(22)14-26/h3-4,7-10,23-26H,1-2,5-6,11-14H2.
What are the key properties of [3-[2,3-bis(hydroxymethyl)-4-prop-2-enylphenoxy]-2-(hydroxymethyl)-6-prop-2-enylphenyl]methanol?
[3-[2,3-bis(hydroxymethyl)-4-prop-2-enylphenoxy]-2-(hydroxymethyl)-6-prop-2-enylphenyl]methanol has a molecular weight of 370.45 g/mol, XLogP of 2.91, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2,3-bis(hydroxymethyl)-4-prop-2-enylphenoxy]-2-(hydroxymethyl)-6-prop-2-enylphenyl]methanol is sourced from PubChem (CID 173437645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).