ethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate

C12H14O3 — CID 169480077

IUPACethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(C)c(O)c1
InChIInChI=1S/C12H14O3/c1-3-15-12(14)7-6-10-5-4-9(2)11(13)8-10/h4-8,13H,3H2,1-2H3
InChIKeyXCIKKGMTIQVUCW-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.28
Rot. Bonds3

About ethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate

ethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate (PubChem CID 169480077) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate
PubChem CID169480077
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Nameethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(C)c(O)c1
InChIInChI=1S/C12H14O3/c1-3-15-12(14)7-6-10-5-4-9(2)11(13)8-10/h4-8,13H,3H2,1-2H3
InChIKeyXCIKKGMTIQVUCW-UHFFFAOYSA-N
XLogP2.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.28
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

ethyl (E)-3-[3-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]prop-2-enoate
CID 86725225
ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115
ethyl (E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enoate
CID 10775274
(E)-3-(3-hydroxy-4-methylphenyl)prop-2-enamide
CID 142522237
ethyl 3-[3-hydroxy-4-(methoxycarbamoyl)phenyl]prop-2-enoate
CID 123686299
ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate
CID 131876701
ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate
CID 131872620
ethyl 3-[3-amino-4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 2749811
ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate
CID 23242190
ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene
CID 175420096
ethyl (E)-3-(3-formylphenyl)prop-2-enoate
CID 11310219
ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate
CID 66907011

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate?
The IUPAC name of ethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate (CID 169480077) is ethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate is CCOC(=O)C=Cc1ccc(C)c(O)c1.
What is the InChIKey of ethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate?
The InChIKey is XCIKKGMTIQVUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-15-12(14)7-6-10-5-4-9(2)11(13)8-10/h4-8,13H,3H2,1-2H3.
What are the key properties of ethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate?
ethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate has a molecular weight of 206.24 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate is sourced from PubChem (CID 169480077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).