methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate

C16H14O3 — CID 10422431

IUPACmethyl (E)-3-(3-phenoxyphenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H14O3/c1-18-16(17)11-10-13-6-5-9-15(12-13)19-14-7-3-2-4-8-14/h2-12H,1H3/b11-10+
InChIKeyGPKUSCCWJPPDPE-ZHACJKMWSA-N
MW254.28 g/mol
LogP3.67
Rot. Bonds4

About methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate

methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate (PubChem CID 10422431) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(3-phenoxyphenyl)prop-2-enoate
PubChem CID10422431
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Namemethyl (E)-3-(3-phenoxyphenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H14O3/c1-18-16(17)11-10-13-6-5-9-15(12-13)19-14-7-3-2-4-8-14/h2-12H,1H3/b11-10+
InChIKeyGPKUSCCWJPPDPE-ZHACJKMWSA-N
XLogP3.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-[3-(4-hydroxyphenoxy)phenyl]prop-2-enoate
CID 67836527
methyl 3-[4-(3-methylphenoxy)phenyl]prop-2-enoate
CID 123957503
3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 54322707
methyl (E)-3-(4-fluoro-3-phenoxyphenyl)prop-2-enoate
CID 19849257
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] (E)-3-(3-phenoxyphenyl)prop-2-enoate
CID 8999820
methyl 3-[3-(2-methylprop-1-enyl)phenyl]prop-2-enoate
CID 139611465
(E)-N-(4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide
CID 126478080
methyl (E)-3-(3-bromophenyl)prop-2-enoate
CID 1482751
methyl 3-(3-sulfanylphenyl)prop-2-enoate
CID 169478627
methyl (E)-3-[4-(methanesulfonamido)-3-phenoxyphenyl]prop-2-enoate
CID 102048932
3-methylbut-2-enoic acid;methyl 3-phenylprop-2-enoate
CID 70180890

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate (CID 10422431) is methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate is COC(=O)/C=C/c1cccc(Oc2ccccc2)c1.
What is the InChIKey of methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate?
The InChIKey is GPKUSCCWJPPDPE-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H14O3/c1-18-16(17)11-10-13-6-5-9-15(12-13)19-14-7-3-2-4-8-14/h2-12H,1H3/b11-10+.
What are the key properties of methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate?
methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate has a molecular weight of 254.28 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate is sourced from PubChem (CID 10422431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).