ethyl 3-[5-hydroxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]prop-2-enoate

C25H24O3 — CID 76714369

IUPACethyl 3-[5-hydroxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1cc(O)ccc1-c1ccc(-c2cccc(C)c2)c(C)c1
InChIInChI=1S/C25H24O3/c1-4-28-25(27)13-9-21-16-22(26)10-12-24(21)20-8-11-23(18(3)15-20)19-7-5-6-17(2)14-19/h5-16,26H,4H2,1-3H3
InChIKeyQCVXHOAHQFCPMR-UHFFFAOYSA-N
MW372.46 g/mol
LogP5.92
Rot. Bonds5

About ethyl 3-[5-hydroxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]prop-2-enoate

ethyl 3-[5-hydroxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]prop-2-enoate (PubChem CID 76714369) has the molecular formula C25H24O3 and a molecular weight of 372.46 g/mol. Its IUPAC name is ethyl 3-[5-hydroxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[5-hydroxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]prop-2-enoate
PubChem CID76714369
Molecular FormulaC25H24O3
Molecular Weight372.46 g/mol
Exact Mass372.17
IUPAC Nameethyl 3-[5-hydroxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1cc(O)ccc1-c1ccc(-c2cccc(C)c2)c(C)c1
InChIInChI=1S/C25H24O3/c1-4-28-25(27)13-9-21-16-22(26)10-12-24(21)20-8-11-23(18(3)15-20)19-7-5-6-17(2)14-19/h5-16,26H,4H2,1-3H3
InChIKeyQCVXHOAHQFCPMR-UHFFFAOYSA-N
XLogP5.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.46
LogP ≤ 55.92
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-[2-[3-formyl-4-(3-methylphenyl)phenyl]-5-methoxyphenyl]prop-2-enoate
CID 130342690
ethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
CID 6441630
ethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate
CID 86730658
ethyl (E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoate
CID 86585374
ethyl (E)-3-(2-bromo-4-hydroxyphenyl)prop-2-enoate
CID 118198345
ethyl (E)-3-[2-[3-formyl-4-[3-(trifluoromethyl)phenyl]phenyl]-5-methoxyphenyl]prop-2-enoate
CID 130342694
ethyl (E)-3-[2-(3,4-dimethoxyphenyl)-5-methoxyphenyl]prop-2-enoate
CID 5379229
ethyl 3-(3-chloro-2-hydroxyphenyl)prop-2-enoate
CID 169481281
ethyl 3-[2-(3-methylbenzoyl)phenyl]prop-2-enoate
CID 68696894
ethyl 3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoate
CID 52918587
ethyl (E)-3-[2-[3-ethyl-4-(3-ethyl-4-methoxyphenyl)phenyl]-5-methoxyphenyl]prop-2-enoate
CID 130342940
ethyl (E)-3-(2-chloro-4-methylphenyl)prop-2-enoate
CID 11064102

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-hydroxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[5-hydroxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]prop-2-enoate (CID 76714369) is ethyl 3-[5-hydroxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[5-hydroxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[5-hydroxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]prop-2-enoate is CCOC(=O)C=Cc1cc(O)ccc1-c1ccc(-c2cccc(C)c2)c(C)c1.
What is the InChIKey of ethyl 3-[5-hydroxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]prop-2-enoate?
The InChIKey is QCVXHOAHQFCPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O3/c1-4-28-25(27)13-9-21-16-22(26)10-12-24(21)20-8-11-23(18(3)15-20)19-7-5-6-17(2)14-19/h5-16,26H,4H2,1-3H3.
What are the key properties of ethyl 3-[5-hydroxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]prop-2-enoate?
ethyl 3-[5-hydroxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]prop-2-enoate has a molecular weight of 372.46 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-hydroxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]prop-2-enoate is sourced from PubChem (CID 76714369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).