(Z)-3-phenylmethoxybut-2-enoic acid

C11H12O3 — CID 101194164

IUPAC(Z)-3-phenylmethoxybut-2-enoic acid
SMILESC/C(=C/C(=O)O)OCc1ccccc1
InChIInChI=1S/C11H12O3/c1-9(7-11(12)13)14-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,12,13)/b9-7-
InChIKeyINPCPICAVCJBKG-CLFYSBASSA-N
MW192.21 g/mol
LogP2.19
Rot. Bonds4

About (Z)-3-phenylmethoxybut-2-enoic acid

(Z)-3-phenylmethoxybut-2-enoic acid (PubChem CID 101194164) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (Z)-3-phenylmethoxybut-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-phenylmethoxybut-2-enoic acid
PubChem CID101194164
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(Z)-3-phenylmethoxybut-2-enoic acid
SMILESC/C(=C/C(=O)O)OCc1ccccc1
InChIInChI=1S/C11H12O3/c1-9(7-11(12)13)14-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,12,13)/b9-7-
InChIKeyINPCPICAVCJBKG-CLFYSBASSA-N
XLogP2.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-oxo-3-phenylmethoxycarbonylpent-2-enoic acid
CID 72683342
benzyl acetate
CID 8785
benzyl (E)-3-chlorobut-2-enoate
CID 122382753
benzyl acetate;molecular nitrogen
CID 174861862
benzyl acetate;carbamic acid
CID 159542161
benzyl 3-methylpent-2-enoate
CID 123956810
(E)-3-methyl-5-phenylmethoxypent-2-enoic acid
CID 101149909
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
benzyl acetate;formonitrile
CID 175329925
(E)-4-phenylmethoxypent-3-en-1-amine
CID 166832926
benzyl (Z)-3-(dimethylamino)but-2-enoate
CID 139616986
benzyl acetate;carbon monoxide;chromium
CID 11196913

Frequently Asked Questions

What is the IUPAC name of (Z)-3-phenylmethoxybut-2-enoic acid?
The IUPAC name of (Z)-3-phenylmethoxybut-2-enoic acid (CID 101194164) is (Z)-3-phenylmethoxybut-2-enoic acid.
What is the SMILES notation for (Z)-3-phenylmethoxybut-2-enoic acid?
The canonical SMILES for (Z)-3-phenylmethoxybut-2-enoic acid is C/C(=C/C(=O)O)OCc1ccccc1.
What is the InChIKey of (Z)-3-phenylmethoxybut-2-enoic acid?
The InChIKey is INPCPICAVCJBKG-CLFYSBASSA-N. The full InChI is InChI=1S/C11H12O3/c1-9(7-11(12)13)14-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,12,13)/b9-7-.
What are the key properties of (Z)-3-phenylmethoxybut-2-enoic acid?
(Z)-3-phenylmethoxybut-2-enoic acid has a molecular weight of 192.21 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-phenylmethoxybut-2-enoic acid is sourced from PubChem (CID 101194164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).