2-(4-hydroxy-3-methylphenyl)ethyl (Z)-3-phenylprop-2-enoate

C18H18O3 — CID 165006275

IUPAC2-(4-hydroxy-3-methylphenyl)ethyl (Z)-3-phenylprop-2-enoate
SMILESCc1cc(CCOC(=O)/C=C\c2ccccc2)ccc1O
InChIInChI=1S/C18H18O3/c1-14-13-16(7-9-17(14)19)11-12-21-18(20)10-8-15-5-3-2-4-6-15/h2-10,13,19H,11-12H2,1H3/b10-8-
InChIKeyUWQJDJXVQIKYTM-NTMALXAHSA-N
MW282.34 g/mol
LogP3.50
Rot. Bonds5

About 2-(4-hydroxy-3-methylphenyl)ethyl (Z)-3-phenylprop-2-enoate

2-(4-hydroxy-3-methylphenyl)ethyl (Z)-3-phenylprop-2-enoate (PubChem CID 165006275) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methylphenyl)ethyl (Z)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name2-(4-hydroxy-3-methylphenyl)ethyl (Z)-3-phenylprop-2-enoate
PubChem CID165006275
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2-(4-hydroxy-3-methylphenyl)ethyl (Z)-3-phenylprop-2-enoate
SMILESCc1cc(CCOC(=O)/C=C\c2ccccc2)ccc1O
InChIInChI=1S/C18H18O3/c1-14-13-16(7-9-17(14)19)11-12-21-18(20)10-8-15-5-3-2-4-6-15/h2-10,13,19H,11-12H2,1H3/b10-8-
InChIKeyUWQJDJXVQIKYTM-NTMALXAHSA-N
XLogP3.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)ethyl (E)-3-phenylprop-2-enoate
CID 155112210
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
2-(2-methylphenyl)ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 134140587
2-(4-phenylphenyl)ethyl (E)-3-(4-acetyloxy-3,5-dimethylphenyl)prop-2-enoate
CID 118564244
2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
(2E)-2-[(3,4-dihydroxyphenyl)methylidene]-4-phenylbutanoic acid;2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 175919948
2-(4-chlorophenyl)ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 134155491
3-[2-[3-(3,4,5-trihydroxyphenyl)prop-2-enoyloxy]ethyl]benzoic acid
CID 123218173
3-[2-[(E)-3-(3,4,5-trihydroxyphenyl)prop-2-enoyl]oxyethyl]benzoic acid
CID 72545181
3-phenylpropyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 6234129
2-phenylethyl (E)-3-naphthalen-2-ylprop-2-enoate
CID 138558211
2-phenylethyl (Z)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 92531543

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methylphenyl)ethyl (Z)-3-phenylprop-2-enoate?
The IUPAC name of 2-(4-hydroxy-3-methylphenyl)ethyl (Z)-3-phenylprop-2-enoate (CID 165006275) is 2-(4-hydroxy-3-methylphenyl)ethyl (Z)-3-phenylprop-2-enoate.
What is the SMILES notation for 2-(4-hydroxy-3-methylphenyl)ethyl (Z)-3-phenylprop-2-enoate?
The canonical SMILES for 2-(4-hydroxy-3-methylphenyl)ethyl (Z)-3-phenylprop-2-enoate is Cc1cc(CCOC(=O)/C=C\c2ccccc2)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methylphenyl)ethyl (Z)-3-phenylprop-2-enoate?
The InChIKey is UWQJDJXVQIKYTM-NTMALXAHSA-N. The full InChI is InChI=1S/C18H18O3/c1-14-13-16(7-9-17(14)19)11-12-21-18(20)10-8-15-5-3-2-4-6-15/h2-10,13,19H,11-12H2,1H3/b10-8-.
What are the key properties of 2-(4-hydroxy-3-methylphenyl)ethyl (Z)-3-phenylprop-2-enoate?
2-(4-hydroxy-3-methylphenyl)ethyl (Z)-3-phenylprop-2-enoate has a molecular weight of 282.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methylphenyl)ethyl (Z)-3-phenylprop-2-enoate is sourced from PubChem (CID 165006275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).