1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate

C18H18O6 — CID 58280736

IUPAC1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(COc1ccc(O)cc1)COc1ccc(O)cc1
InChIInChI=1S/C18H18O6/c1-2-18(21)24-17(11-22-15-7-3-13(19)4-8-15)12-23-16-9-5-14(20)6-10-16/h2-10,17,19-20H,1,11-12H2
InChIKeyDOXOPYNEUUKWDA-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.65
Rot. Bonds8

About 1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate

1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate (PubChem CID 58280736) has the molecular formula C18H18O6 and a molecular weight of 330.34 g/mol. Its IUPAC name is 1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate
PubChem CID58280736
Molecular FormulaC18H18O6
Molecular Weight330.34 g/mol
Exact Mass330.11
IUPAC Name1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(COc1ccc(O)cc1)COc1ccc(O)cc1
InChIInChI=1S/C18H18O6/c1-2-18(21)24-17(11-22-15-7-3-13(19)4-8-15)12-23-16-9-5-14(20)6-10-16/h2-10,17,19-20H,1,11-12H2
InChIKeyDOXOPYNEUUKWDA-UHFFFAOYSA-N
XLogP2.65
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[3-[4-[4-[4-[2,3-di(prop-2-enoyloxy)propoxy]phenyl]sulfanylphenyl]sulfanylphenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate
CID 59739137
4-[2,3-di(prop-2-enoyloxy)propoxy]benzoic acid
CID 122419882
[1-phenoxy-3-[4-[2-[2-[4-(3-phenoxy-2-prop-2-enoyloxypropoxy)phenyl]phenyl]phenyl]phenoxy]propan-2-yl] prop-2-enoate
CID 118671524
[1-(4-formylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate
CID 145121720
6-(4-hydroxyphenoxy)hexan-3-yl prop-2-enoate
CID 175435044
[1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate
CID 142355257
4-[3-(4-methoxyphenoxy)-2-prop-2-enoyloxypropoxy]butyl prop-2-enoate
CID 145123352
[1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-methoxypropan-2-yl] prop-2-enoate
CID 142563864
[1-(4-chlorophenoxy)-3-phenylsulfanylpropan-2-yl] prop-2-enoate
CID 58961721
[1-(3-phenylphenoxy)-3-[3-[3-(3-phenylphenoxy)-2-prop-2-enoyloxypropoxy]phenoxy]propan-2-yl] prop-2-enoate
CID 23111038
methane;tetrakis([1-methoxy-3-(4-phenylphenoxy)propan-2-yl] prop-2-enoate);1,2,2-triphenylethylbenzene
CID 157429034
4-(4-hydroxyphenoxy)butyl prop-2-enoate
CID 20566713

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate?
The IUPAC name of 1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate (CID 58280736) is 1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate.
What is the SMILES notation for 1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate?
The canonical SMILES for 1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate is C=CC(=O)OC(COc1ccc(O)cc1)COc1ccc(O)cc1.
What is the InChIKey of 1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate?
The InChIKey is DOXOPYNEUUKWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O6/c1-2-18(21)24-17(11-22-15-7-3-13(19)4-8-15)12-23-16-9-5-14(20)6-10-16/h2-10,17,19-20H,1,11-12H2.
What are the key properties of 1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate?
1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate has a molecular weight of 330.34 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate is sourced from PubChem (CID 58280736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).