[[4-[(E)-2-methoxyethenyl]phenyl]-phenylmethyl] acetate

C18H18O3 — CID 19375123

IUPAC[[4-[(E)-2-methoxyethenyl]phenyl]-phenylmethyl] acetate
SMILESCO/C=C/c1ccc(C(OC(C)=O)c2ccccc2)cc1
InChIInChI=1S/C18H18O3/c1-14(19)21-18(16-6-4-3-5-7-16)17-10-8-15(9-11-17)12-13-20-2/h3-13,18H,1-2H3/b13-12+
InChIKeyZYOGLPVSXUENPZ-OUKQBFOZSA-N
MW282.34 g/mol
LogP3.96
Rot. Bonds5

About [[4-[(E)-2-methoxyethenyl]phenyl]-phenylmethyl] acetate

[[4-[(E)-2-methoxyethenyl]phenyl]-phenylmethyl] acetate (PubChem CID 19375123) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is [[4-[(E)-2-methoxyethenyl]phenyl]-phenylmethyl] acetate.

Molecular Properties

Compound Name[[4-[(E)-2-methoxyethenyl]phenyl]-phenylmethyl] acetate
PubChem CID19375123
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name[[4-[(E)-2-methoxyethenyl]phenyl]-phenylmethyl] acetate
SMILESCO/C=C/c1ccc(C(OC(C)=O)c2ccccc2)cc1
InChIInChI=1S/C18H18O3/c1-14(19)21-18(16-6-4-3-5-7-16)17-10-8-15(9-11-17)12-13-20-2/h3-13,18H,1-2H3/b13-12+
InChIKeyZYOGLPVSXUENPZ-OUKQBFOZSA-N
XLogP3.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzhydryl acetate;hydrazine
CID 122610283
[(S)-(4-methylphenyl)-phenylmethyl] acetate
CID 40534934
benzhydryl (E)-3-(4-methylphenyl)prop-2-enoate
CID 7187389
benzhydryl 2-hydroxybut-2-enoate
CID 154093504
[(S)-(4-propan-2-ylphenyl)-pyridin-3-ylmethyl] acetate
CID 166439139
dibenzhydryl (E)-but-2-enedioate
CID 19073748
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
3-(2-methoxyethenyl)benzoic acid
CID 70467435
ethenyl 2-acetyloxy-2-phenylacetate
CID 174358025
benzhydryl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 7780614
benzhydryl (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 7198966
[(E,1S)-1-[[(E,1S)-1-acetyloxy-3-phenylprop-2-enyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate
CID 15447341

Frequently Asked Questions

What is the IUPAC name of [[4-[(E)-2-methoxyethenyl]phenyl]-phenylmethyl] acetate?
The IUPAC name of [[4-[(E)-2-methoxyethenyl]phenyl]-phenylmethyl] acetate (CID 19375123) is [[4-[(E)-2-methoxyethenyl]phenyl]-phenylmethyl] acetate.
What is the SMILES notation for [[4-[(E)-2-methoxyethenyl]phenyl]-phenylmethyl] acetate?
The canonical SMILES for [[4-[(E)-2-methoxyethenyl]phenyl]-phenylmethyl] acetate is CO/C=C/c1ccc(C(OC(C)=O)c2ccccc2)cc1.
What is the InChIKey of [[4-[(E)-2-methoxyethenyl]phenyl]-phenylmethyl] acetate?
The InChIKey is ZYOGLPVSXUENPZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H18O3/c1-14(19)21-18(16-6-4-3-5-7-16)17-10-8-15(9-11-17)12-13-20-2/h3-13,18H,1-2H3/b13-12+.
What are the key properties of [[4-[(E)-2-methoxyethenyl]phenyl]-phenylmethyl] acetate?
[[4-[(E)-2-methoxyethenyl]phenyl]-phenylmethyl] acetate has a molecular weight of 282.34 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-[(E)-2-methoxyethenyl]phenyl]-phenylmethyl] acetate is sourced from PubChem (CID 19375123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).