(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate

C19H18O4 — CID 70257888

IUPAC(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate
SMILESC=CCOc1ccc(OC(=O)c2ccc(OCC=C)cc2)cc1
InChIInChI=1S/C19H18O4/c1-3-13-21-16-7-5-15(6-8-16)19(20)23-18-11-9-17(10-12-18)22-14-4-2/h3-12H,1-2,13-14H2
InChIKeyKYEPKIQZNLBTDR-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.04
Rot. Bonds8

About (4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate

(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate (PubChem CID 70257888) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is (4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate.

Molecular Properties

Compound Name(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate
PubChem CID70257888
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate
SMILESC=CCOc1ccc(OC(=O)c2ccc(OCC=C)cc2)cc1
InChIInChI=1S/C19H18O4/c1-3-13-21-16-7-5-15(6-8-16)19(20)23-18-11-9-17(10-12-18)22-14-4-2/h3-12H,1-2,13-14H2
InChIKeyKYEPKIQZNLBTDR-UHFFFAOYSA-N
XLogP4.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate
CID 18368747
(4-prop-2-enoxyphenyl) 4-methoxybenzoate
CID 71332396
[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate
CID 19853406
carbon dioxide;(4-methylphenyl) 4-prop-2-enoxybenzoate
CID 123884420
4-oxo-4-[4-(4-prop-2-enoxybenzoyl)oxyphenoxy]butanoic acid
CID 19348973
[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-prop-2-enoxybenzoate
CID 129081661
(4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate
CID 139854089
(4-hex-5-enoxyphenyl) 4-hex-5-enoxybenzoate
CID 86174635
2-methylbutyl 4-[4-[4-(4-prop-2-enoxyphenyl)benzoyl]oxyphenyl]benzoate
CID 19853401
methyl 4-(4-prop-2-enoxyphenyl)benzoate
CID 22625454
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
[4-(prop-2-enoyloxymethoxy)phenyl] 6-(4-prop-2-enoxybenzoyl)oxynaphthalene-2-carboxylate
CID 58471406

Frequently Asked Questions

What is the IUPAC name of (4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate?
The IUPAC name of (4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate (CID 70257888) is (4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate.
What is the SMILES notation for (4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate?
The canonical SMILES for (4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate is C=CCOc1ccc(OC(=O)c2ccc(OCC=C)cc2)cc1.
What is the InChIKey of (4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate?
The InChIKey is KYEPKIQZNLBTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-3-13-21-16-7-5-15(6-8-16)19(20)23-18-11-9-17(10-12-18)22-14-4-2/h3-12H,1-2,13-14H2.
What are the key properties of (4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate?
(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate has a molecular weight of 310.35 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate is sourced from PubChem (CID 70257888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).