(4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate

C17H16O4 — CID 175436244

IUPAC(4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate
SMILESC=CCOc1ccc(C(=O)OCc2ccc(O)cc2)cc1
InChIInChI=1S/C17H16O4/c1-2-11-20-16-9-5-14(6-10-16)17(19)21-12-13-3-7-15(18)8-4-13/h2-10,18H,1,11-12H2
InChIKeyLDTHOZNVQBYCGB-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.31
Rot. Bonds6

About (4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate

(4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate (PubChem CID 175436244) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is (4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate.

Molecular Properties

Compound Name(4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate
PubChem CID175436244
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name(4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate
SMILESC=CCOc1ccc(C(=O)OCc2ccc(O)cc2)cc1
InChIInChI=1S/C17H16O4/c1-2-11-20-16-9-5-14(6-10-16)17(19)21-12-13-3-7-15(18)8-4-13/h2-10,18H,1,11-12H2
InChIKeyLDTHOZNVQBYCGB-UHFFFAOYSA-N
XLogP3.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16577371
4-[(4-prop-2-enoxyphenyl)methyl]phenol
CID 68636078
(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate
CID 70257888
4-(4-prop-2-enoxyphenyl)phenol
CID 14817245
(4-cyanophenyl)methyl 4-hydroxybenzoate
CID 2465166
prop-2-enyl 4-[(4-tert-butylbenzoyl)oxymethyl]benzoate
CID 21474565
prop-2-enyl 4-(aminomethoxy)benzoate
CID 156663143
phenol;4-prop-2-enoxyphenol
CID 70303777
methyl 4-(4-prop-2-enoxyphenyl)benzoate
CID 22625454
[4-[2-[4-(benzoyloxymethyl)phenoxy]ethoxy]phenyl]methyl benzoate
CID 175261342
4-hydroxybenzonitrile;4-prop-2-enoxybenzoic acid
CID 175377266
benzene;4-prop-2-enoxybenzoic acid
CID 174857047

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate?
The IUPAC name of (4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate (CID 175436244) is (4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate.
What is the SMILES notation for (4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate?
The canonical SMILES for (4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate is C=CCOc1ccc(C(=O)OCc2ccc(O)cc2)cc1.
What is the InChIKey of (4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate?
The InChIKey is LDTHOZNVQBYCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-2-11-20-16-9-5-14(6-10-16)17(19)21-12-13-3-7-15(18)8-4-13/h2-10,18H,1,11-12H2.
What are the key properties of (4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate?
(4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate has a molecular weight of 284.31 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate is sourced from PubChem (CID 175436244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).