methyl (Z)-4-phenoxybut-3-enoate

C11H12O3 — CID 5371920

IUPACmethyl (Z)-4-phenoxybut-3-enoate
SMILESCOC(=O)C/C=C\Oc1ccccc1
InChIInChI=1S/C11H12O3/c1-13-11(12)8-5-9-14-10-6-3-2-4-7-10/h2-7,9H,8H2,1H3/b9-5-
InChIKeyWHRSKEFNIQOUIL-UITAMQMPSA-N
MW192.21 g/mol
LogP2.14
Rot. Bonds4

About methyl (Z)-4-phenoxybut-3-enoate

methyl (Z)-4-phenoxybut-3-enoate (PubChem CID 5371920) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is methyl (Z)-4-phenoxybut-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-phenoxybut-3-enoate
PubChem CID5371920
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Namemethyl (Z)-4-phenoxybut-3-enoate
SMILESCOC(=O)C/C=C\Oc1ccccc1
InChIInChI=1S/C11H12O3/c1-13-11(12)8-5-9-14-10-6-3-2-4-7-10/h2-7,9H,8H2,1H3/b9-5-
InChIKeyWHRSKEFNIQOUIL-UITAMQMPSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.14
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

phenyl 4-phenoxybut-3-eneperoxoate
CID 174707517
methyl 3-phenoxyprop-2-enoate
CID 74041310
methyl 4-phenylbut-3-enoate;molecular nitrogen
CID 175524038
methyl (E)-4-(benzenesulfonyl)but-3-enoate
CID 134877326
[(Z)-but-1-enoxy]benzene;ethane
CID 143220778
3-phenoxyprop-2-enyl prop-2-enoate
CID 66647302
phenoxy(3-phenoxyprop-2-enyl)carbamic acid
CID 173437232
[(E)-3-phenoxyprop-2-enyl]benzene
CID 11961333
methyl (E)-5-(2-fluorophenyl)pent-3-enoate
CID 101147953
methyl (E)-5-(2-methoxyphenyl)pent-3-enoate
CID 101147955
methyl (Z)-5-(2-bromophenyl)pent-3-enoate
CID 117267944
methyl (E)-4-pyridin-3-ylbut-3-enoate
CID 11513847

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-phenoxybut-3-enoate?
The IUPAC name of methyl (Z)-4-phenoxybut-3-enoate (CID 5371920) is methyl (Z)-4-phenoxybut-3-enoate.
What is the SMILES notation for methyl (Z)-4-phenoxybut-3-enoate?
The canonical SMILES for methyl (Z)-4-phenoxybut-3-enoate is COC(=O)C/C=C\Oc1ccccc1.
What is the InChIKey of methyl (Z)-4-phenoxybut-3-enoate?
The InChIKey is WHRSKEFNIQOUIL-UITAMQMPSA-N. The full InChI is InChI=1S/C11H12O3/c1-13-11(12)8-5-9-14-10-6-3-2-4-7-10/h2-7,9H,8H2,1H3/b9-5-.
What are the key properties of methyl (Z)-4-phenoxybut-3-enoate?
methyl (Z)-4-phenoxybut-3-enoate has a molecular weight of 192.21 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-phenoxybut-3-enoate is sourced from PubChem (CID 5371920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).