methyl (E)-3-phenylpent-3-enoate

C12H14O2 — CID 10012736

IUPACmethyl (E)-3-phenylpent-3-enoate
SMILESC/C=C(\CC(=O)OC)c1ccccc1
InChIInChI=1S/C12H14O2/c1-3-10(9-12(13)14-2)11-7-5-4-6-8-11/h3-8H,9H2,1-2H3/b10-3+
InChIKeyBVJXSFNRWGDRHM-XCVCLJGOSA-N
MW190.24 g/mol
LogP2.65
Rot. Bonds3

About methyl (E)-3-phenylpent-3-enoate

methyl (E)-3-phenylpent-3-enoate (PubChem CID 10012736) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is methyl (E)-3-phenylpent-3-enoate.

Molecular Properties

Compound Namemethyl (E)-3-phenylpent-3-enoate
PubChem CID10012736
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Namemethyl (E)-3-phenylpent-3-enoate
SMILESC/C=C(\CC(=O)OC)c1ccccc1
InChIInChI=1S/C12H14O2/c1-3-10(9-12(13)14-2)11-7-5-4-6-8-11/h3-8H,9H2,1-2H3/b10-3+
InChIKeyBVJXSFNRWGDRHM-XCVCLJGOSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (Z)-3-phenylpent-3-enoate
CID 134988020
methyl 3-benzamido-3-oxopropanoate
CID 11345054
methyl 3-benzoylbut-3-enoate
CID 10845850
methyl 3-benzoyl-4-oxo-4-phenylbutanoate
CID 10979354
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
methyl 3-methyl-4-oxo-4-phenylbutanoate
CID 10774657
4-phenylhex-4-enoic acid
CID 67746450
CID 172688243
CID 172688243
methyl (3S)-3-hydroxy-5-oxo-5-phenylpentanoate
CID 45113502
bis(benzenecarbothioic S-acid);methyl 2-phenylacetate
CID 87890916
methyl 2-[[1-[(E)-1-phenylprop-1-enyl]cyclopropyl]amino]acetate
CID 101129463
(Z)-3-methyl-1-phenylpent-3-en-1-one
CID 101075943

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-phenylpent-3-enoate?
The IUPAC name of methyl (E)-3-phenylpent-3-enoate (CID 10012736) is methyl (E)-3-phenylpent-3-enoate.
What is the SMILES notation for methyl (E)-3-phenylpent-3-enoate?
The canonical SMILES for methyl (E)-3-phenylpent-3-enoate is C/C=C(\CC(=O)OC)c1ccccc1.
What is the InChIKey of methyl (E)-3-phenylpent-3-enoate?
The InChIKey is BVJXSFNRWGDRHM-XCVCLJGOSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-10(9-12(13)14-2)11-7-5-4-6-8-11/h3-8H,9H2,1-2H3/b10-3+.
What are the key properties of methyl (E)-3-phenylpent-3-enoate?
methyl (E)-3-phenylpent-3-enoate has a molecular weight of 190.24 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-phenylpent-3-enoate is sourced from PubChem (CID 10012736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).