[4-(4-hydroxyphenyl)phenyl] prop-2-enoate;2-methylprop-2-enoic acid

C19H18O5 — CID 161387897

IUPAC[4-(4-hydroxyphenyl)phenyl] prop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C15H12O3.C4H6O2/c1-2-15(17)18-14-9-5-12(6-10-14)11-3-7-13(16)8-4-11;1-3(2)4(5)6/h2-10,16H,1H2;1H2,2H3,(H,5,6)
InChIKeyVSPCZCKMSDFZSQ-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.80
Rot. Bonds4

About [4-(4-hydroxyphenyl)phenyl] prop-2-enoate;2-methylprop-2-enoic acid

[4-(4-hydroxyphenyl)phenyl] prop-2-enoate;2-methylprop-2-enoic acid (PubChem CID 161387897) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)phenyl] prop-2-enoate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)phenyl] prop-2-enoate;2-methylprop-2-enoic acid
PubChem CID161387897
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name[4-(4-hydroxyphenyl)phenyl] prop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C15H12O3.C4H6O2/c1-2-15(17)18-14-9-5-12(6-10-14)11-3-7-13(16)8-4-11;1-3(2)4(5)6/h2-10,16H,1H2;1H2,2H3,(H,5,6)
InChIKeyVSPCZCKMSDFZSQ-UHFFFAOYSA-N
XLogP3.80
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 89212422
[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 118680413
(4-hydroxyphenyl) prop-2-enoate;methoxymethane
CID 67882332
[4-[4-[N-methyl-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 22089909
[4-[4-[2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219900
[4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219776
[4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate
CID 155628388
[3-(2-methylprop-2-enoyloxy)-2-[2-(4-prop-2-enoyloxyphenyl)ethynyl]-5-[2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethynyl]phenyl] 2-methylprop-2-enoate
CID 118605626
phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455
[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-3-prop-2-enoyloxyphenyl]phenyl] 2-methylprop-2-enoate
CID 118975493
[4-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-2-prop-2-enoyloxyphenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 118975632
[4-[4-(2-fluoro-4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 147470296

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)phenyl] prop-2-enoate;2-methylprop-2-enoic acid?
The IUPAC name of [4-(4-hydroxyphenyl)phenyl] prop-2-enoate;2-methylprop-2-enoic acid (CID 161387897) is [4-(4-hydroxyphenyl)phenyl] prop-2-enoate;2-methylprop-2-enoic acid.
What is the SMILES notation for [4-(4-hydroxyphenyl)phenyl] prop-2-enoate;2-methylprop-2-enoic acid?
The canonical SMILES for [4-(4-hydroxyphenyl)phenyl] prop-2-enoate;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=CC(=O)Oc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of [4-(4-hydroxyphenyl)phenyl] prop-2-enoate;2-methylprop-2-enoic acid?
The InChIKey is VSPCZCKMSDFZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3.C4H6O2/c1-2-15(17)18-14-9-5-12(6-10-14)11-3-7-13(16)8-4-11;1-3(2)4(5)6/h2-10,16H,1H2;1H2,2H3,(H,5,6).
What are the key properties of [4-(4-hydroxyphenyl)phenyl] prop-2-enoate;2-methylprop-2-enoic acid?
[4-(4-hydroxyphenyl)phenyl] prop-2-enoate;2-methylprop-2-enoic acid has a molecular weight of 326.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)phenyl] prop-2-enoate;2-methylprop-2-enoic acid is sourced from PubChem (CID 161387897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).