1-[2-ethyl-4-[[4-[(E)-2-hydroxyethenyl]phenyl]methoxy]phenyl]ethanone

C19H20O3 — CID 155703815

IUPAC1-[2-ethyl-4-[[4-[(E)-2-hydroxyethenyl]phenyl]methoxy]phenyl]ethanone
SMILESCCc1cc(OCc2ccc(/C=C/O)cc2)ccc1C(C)=O
InChIInChI=1S/C19H20O3/c1-3-17-12-18(8-9-19(17)14(2)21)22-13-16-6-4-15(5-7-16)10-11-20/h4-12,20H,3,13H2,1-2H3/b11-10+
InChIKeyYUAYTQLFRIIWPW-ZHACJKMWSA-N
MW296.37 g/mol
LogP4.56
Rot. Bonds6

About 1-[2-ethyl-4-[[4-[(E)-2-hydroxyethenyl]phenyl]methoxy]phenyl]ethanone

1-[2-ethyl-4-[[4-[(E)-2-hydroxyethenyl]phenyl]methoxy]phenyl]ethanone (PubChem CID 155703815) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[2-ethyl-4-[[4-[(E)-2-hydroxyethenyl]phenyl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-ethyl-4-[[4-[(E)-2-hydroxyethenyl]phenyl]methoxy]phenyl]ethanone
PubChem CID155703815
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name1-[2-ethyl-4-[[4-[(E)-2-hydroxyethenyl]phenyl]methoxy]phenyl]ethanone
SMILESCCc1cc(OCc2ccc(/C=C/O)cc2)ccc1C(C)=O
InChIInChI=1S/C19H20O3/c1-3-17-12-18(8-9-19(17)14(2)21)22-13-16-6-4-15(5-7-16)10-11-20/h4-12,20H,3,13H2,1-2H3/b11-10+
InChIKeyYUAYTQLFRIIWPW-ZHACJKMWSA-N
XLogP4.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(4-bromophenyl)methoxy]-2-ethylphenyl]ethanone
CID 91864406
methyl 4-[(4-acetyl-3-ethylphenoxy)methyl]benzoate
CID 91864413
1-[4-[(2-bromophenyl)methoxy]-2-ethylphenyl]ethanone
CID 91864376
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
(4-acetyl-3-ethylphenyl) hypofluorite
CID 153392017
1-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863953
1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863870
2-(2-acetyl-5-ethoxyphenyl)acetaldehyde
CID 53375331
1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone
CID 91863632
1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
CID 122531292
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone
CID 91863947

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-4-[[4-[(E)-2-hydroxyethenyl]phenyl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[2-ethyl-4-[[4-[(E)-2-hydroxyethenyl]phenyl]methoxy]phenyl]ethanone (CID 155703815) is 1-[2-ethyl-4-[[4-[(E)-2-hydroxyethenyl]phenyl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-ethyl-4-[[4-[(E)-2-hydroxyethenyl]phenyl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-ethyl-4-[[4-[(E)-2-hydroxyethenyl]phenyl]methoxy]phenyl]ethanone is CCc1cc(OCc2ccc(/C=C/O)cc2)ccc1C(C)=O.
What is the InChIKey of 1-[2-ethyl-4-[[4-[(E)-2-hydroxyethenyl]phenyl]methoxy]phenyl]ethanone?
The InChIKey is YUAYTQLFRIIWPW-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H20O3/c1-3-17-12-18(8-9-19(17)14(2)21)22-13-16-6-4-15(5-7-16)10-11-20/h4-12,20H,3,13H2,1-2H3/b11-10+.
What are the key properties of 1-[2-ethyl-4-[[4-[(E)-2-hydroxyethenyl]phenyl]methoxy]phenyl]ethanone?
1-[2-ethyl-4-[[4-[(E)-2-hydroxyethenyl]phenyl]methoxy]phenyl]ethanone has a molecular weight of 296.37 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-4-[[4-[(E)-2-hydroxyethenyl]phenyl]methoxy]phenyl]ethanone is sourced from PubChem (CID 155703815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).