(Z)-4-(3-hydroxyphenoxy)-4-oxobut-2-enoic acid

C10H8O5 — CID 150587214

IUPAC(Z)-4-(3-hydroxyphenoxy)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)Oc1cccc(O)c1
InChIInChI=1S/C10H8O5/c11-7-2-1-3-8(6-7)15-10(14)5-4-9(12)13/h1-6,11H,(H,12,13)/b5-4-
InChIKeyIPCHLAVCEVMQAB-PLNGDYQASA-N
MW208.17 g/mol
LogP0.94
Rot. Bonds3

About (Z)-4-(3-hydroxyphenoxy)-4-oxobut-2-enoic acid

(Z)-4-(3-hydroxyphenoxy)-4-oxobut-2-enoic acid (PubChem CID 150587214) has the molecular formula C10H8O5 and a molecular weight of 208.17 g/mol. Its IUPAC name is (Z)-4-(3-hydroxyphenoxy)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(3-hydroxyphenoxy)-4-oxobut-2-enoic acid
PubChem CID150587214
Molecular FormulaC10H8O5
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name(Z)-4-(3-hydroxyphenoxy)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)Oc1cccc(O)c1
InChIInChI=1S/C10H8O5/c11-7-2-1-3-8(6-7)15-10(14)5-4-9(12)13/h1-6,11H,(H,12,13)/b5-4-
InChIKeyIPCHLAVCEVMQAB-PLNGDYQASA-N
XLogP0.94
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-(3-methoxyphenoxy)-4-oxobut-2-enoic acid
CID 21203952
(3-hydroxyphenyl) 2-oxoacetate
CID 174444543
mercury;(Z)-4-oxo-4-phenoxybut-2-enoic acid
CID 67065285
(3-hydroxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 101102620
[3-(4-oxopent-2-enoyloxy)phenyl] 4-oxopent-2-enoate
CID 140692483
4-O-[1-(3-hydroxyphenoxy)-1-oxopropan-2-yl] 1-O-methyl (E)-but-2-enedioate
CID 69125067
1-O-ethyl 4-O-[2-(3-hydroxyphenoxy)-2-oxoethyl] (Z)-but-2-enedioate
CID 69125146
4-oxo-4-pyridin-3-yloxybut-2-enoic acid
CID 57184664
4-O-(3-hydroxy-5-methoxyphenyl) 1-O-phenyl (E)-but-2-enedioate
CID 130411741
(3-hydroxyphenyl) 2-oxopropanoate
CID 22361380
bis(3-hydroxyphenyl) 2,3-dihydroxybutanedioate
CID 66768995
3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 160578050

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(3-hydroxyphenoxy)-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-(3-hydroxyphenoxy)-4-oxobut-2-enoic acid (CID 150587214) is (Z)-4-(3-hydroxyphenoxy)-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-(3-hydroxyphenoxy)-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-(3-hydroxyphenoxy)-4-oxobut-2-enoic acid is O=C(O)/C=C\C(=O)Oc1cccc(O)c1.
What is the InChIKey of (Z)-4-(3-hydroxyphenoxy)-4-oxobut-2-enoic acid?
The InChIKey is IPCHLAVCEVMQAB-PLNGDYQASA-N. The full InChI is InChI=1S/C10H8O5/c11-7-2-1-3-8(6-7)15-10(14)5-4-9(12)13/h1-6,11H,(H,12,13)/b5-4-.
What are the key properties of (Z)-4-(3-hydroxyphenoxy)-4-oxobut-2-enoic acid?
(Z)-4-(3-hydroxyphenoxy)-4-oxobut-2-enoic acid has a molecular weight of 208.17 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(3-hydroxyphenoxy)-4-oxobut-2-enoic acid is sourced from PubChem (CID 150587214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).