(Z)-2-phenoxypent-2-enoic acid

C11H12O3 — CID 70559179

IUPAC(Z)-2-phenoxypent-2-enoic acid
SMILESCC/C=C(\Oc1ccccc1)C(=O)O
InChIInChI=1S/C11H12O3/c1-2-6-10(11(12)13)14-9-7-4-3-5-8-9/h3-8H,2H2,1H3,(H,12,13)/b10-6-
InChIKeyIMUUUWJMMRERBK-POHAHGRESA-N
MW192.21 g/mol
LogP2.44
Rot. Bonds4

About (Z)-2-phenoxypent-2-enoic acid

(Z)-2-phenoxypent-2-enoic acid (PubChem CID 70559179) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (Z)-2-phenoxypent-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-phenoxypent-2-enoic acid
PubChem CID70559179
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(Z)-2-phenoxypent-2-enoic acid
SMILESCC/C=C(\Oc1ccccc1)C(=O)O
InChIInChI=1S/C11H12O3/c1-2-6-10(11(12)13)14-9-7-4-3-5-8-9/h3-8H,2H2,1H3,(H,12,13)/b10-6-
InChIKeyIMUUUWJMMRERBK-POHAHGRESA-N
XLogP2.44
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 ≤ 52.44
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

2-(2-phenoxyphenoxy)pent-2-enoic acid
CID 70588230
2-phenoxydodec-2-enoic acid
CID 67926772
phenyl butanoate
CID 20354
diphenyl carbonate;ethoxyethane
CID 67230205
(E)-2-(2,3,4,5,6-pentabromophenoxy)pent-2-enoic acid
CID 87805281
phenyl propanoate
CID 161258381
alumane;phenyl butanoate
CID 174579212
phenyl butanoate;zirconium
CID 175596905
CID 161494205
CID 161494205
ethyl 2-phenoxy-3-phenylprop-2-enoate
CID 72829048
diphenyl carbonate;ethane;molecular iodine
CID 159087497
butane;phenyl carbamate
CID 145076324

Frequently Asked Questions

What is the IUPAC name of (Z)-2-phenoxypent-2-enoic acid?
The IUPAC name of (Z)-2-phenoxypent-2-enoic acid (CID 70559179) is (Z)-2-phenoxypent-2-enoic acid.
What is the SMILES notation for (Z)-2-phenoxypent-2-enoic acid?
The canonical SMILES for (Z)-2-phenoxypent-2-enoic acid is CC/C=C(\Oc1ccccc1)C(=O)O.
What is the InChIKey of (Z)-2-phenoxypent-2-enoic acid?
The InChIKey is IMUUUWJMMRERBK-POHAHGRESA-N. The full InChI is InChI=1S/C11H12O3/c1-2-6-10(11(12)13)14-9-7-4-3-5-8-9/h3-8H,2H2,1H3,(H,12,13)/b10-6-.
What are the key properties of (Z)-2-phenoxypent-2-enoic acid?
(Z)-2-phenoxypent-2-enoic acid has a molecular weight of 192.21 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-phenoxypent-2-enoic acid is sourced from PubChem (CID 70559179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).