ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene

C22H22O4 — CID 175420096

IUPACethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene
SMILESCCOC(=O)C=Cc1ccc(O)c(OC)c1.c1ccc2ccccc2c1
InChIInChI=1S/C12H14O4.C10H8/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2;1-2-6-10-8-4-3-7-9(10)5-1/h4-8,13H,3H2,1-2H3;1-8H
InChIKeyKWQHIUJLUVXKLF-UHFFFAOYSA-N
MW350.41 g/mol
LogP4.82
Rot. Bonds4

About ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene

ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene (PubChem CID 175420096) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene.

Molecular Properties

Compound Nameethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene
PubChem CID175420096
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Nameethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene
SMILESCCOC(=O)C=Cc1ccc(O)c(OC)c1.c1ccc2ccccc2c1
InChIInChI=1S/C12H14O4.C10H8/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2;1-2-6-10-8-4-3-7-9(10)5-1/h4-8,13H,3H2,1-2H3;1-8H
InChIKeyKWQHIUJLUVXKLF-UHFFFAOYSA-N
XLogP4.82
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 86717646
24-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxytetracosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 11967021
[2-(naphthalen-2-ylamino)-2-oxoethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 2413044
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-eneperoxoate
CID 155779332
(4-hydroxy-3-methoxyphenyl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 175420100
(4-methylphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 2551665
octadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 5320256
icosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 6440080
ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate
CID 66907011
pentacosyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 163044714
nonadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 101186931
pentadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 11407056

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene?
The IUPAC name of ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene (CID 175420096) is ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene.
What is the SMILES notation for ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene?
The canonical SMILES for ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene is CCOC(=O)C=Cc1ccc(O)c(OC)c1.c1ccc2ccccc2c1.
What is the InChIKey of ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene?
The InChIKey is KWQHIUJLUVXKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4.C10H8/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2;1-2-6-10-8-4-3-7-9(10)5-1/h4-8,13H,3H2,1-2H3;1-8H.
What are the key properties of ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene?
ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene has a molecular weight of 350.41 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene is sourced from PubChem (CID 175420096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).