3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate

C18H18O4 — CID 144554090

IUPAC3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C18H18O4/c1-2-18(20)22-13-3-12-21-17-10-6-15(7-11-17)14-4-8-16(19)9-5-14/h2,4-11,19H,1,3,12-13H2
InChIKeySPHPWVGMUXGLEJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.56
Rot. Bonds7

About 3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate

3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate (PubChem CID 144554090) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate
PubChem CID144554090
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C18H18O4/c1-2-18(20)22-13-3-12-21-17-10-6-15(7-11-17)14-4-8-16(19)9-5-14/h2,4-11,19H,1,3,12-13H2
InChIKeySPHPWVGMUXGLEJ-UHFFFAOYSA-N
XLogP3.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
4-(4-hydroxyphenoxy)butyl prop-2-enoate
CID 20566713
[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate
CID 118547337
8-[4-(4-cyanophenyl)phenoxy]octyl prop-2-enoate
CID 67732032
8-[4-(3,5-difluorophenyl)phenoxy]octyl prop-2-enoate
CID 134446776
6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate
CID 20588637
7-[4-(4-cyanophenyl)phenoxy]heptyl prop-2-enoate
CID 67732052
methyl 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate
CID 58785395
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081
3-[4-[4-[[(1R,2R)-2-[[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]methoxy]cyclohexyl]oxymethyl]phenyl]phenoxy]propyl prop-2-enoate
CID 22880289
2-(4-hydroxyphenyl)-4-(6-prop-2-enoyloxyhexoxy)benzoic acid
CID 67066904

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate?
The IUPAC name of 3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate (CID 144554090) is 3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate.
What is the SMILES notation for 3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate?
The canonical SMILES for 3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate is C=CC(=O)OCCCOc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate?
The InChIKey is SPHPWVGMUXGLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-2-18(20)22-13-3-12-21-17-10-6-15(7-11-17)14-4-8-16(19)9-5-14/h2,4-11,19H,1,3,12-13H2.
What are the key properties of 3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate?
3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate has a molecular weight of 298.34 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate is sourced from PubChem (CID 144554090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).