(Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid

C18H16O3 — CID 43352799

IUPAC(Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid
SMILESC=CCOc1ccccc1/C=C(\C(=O)O)c1ccccc1
InChIInChI=1S/C18H16O3/c1-2-12-21-17-11-7-6-10-15(17)13-16(18(19)20)14-8-4-3-5-9-14/h2-11,13H,1,12H2,(H,19,20)/b16-13-
InChIKeyTZDHAHOURSWIIO-SSZFMOIBSA-N
MW280.32 g/mol
LogP3.88
Rot. Bonds6

About (Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid

(Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid (PubChem CID 43352799) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is (Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid
PubChem CID43352799
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name(Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid
SMILESC=CCOc1ccccc1/C=C(\C(=O)O)c1ccccc1
InChIInChI=1S/C18H16O3/c1-2-12-21-17-11-7-6-10-15(17)13-16(18(19)20)14-8-4-3-5-9-14/h2-11,13H,1,12H2,(H,19,20)/b16-13-
InChIKeyTZDHAHOURSWIIO-SSZFMOIBSA-N
XLogP3.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20989024
(E)-3-(2-prop-2-enoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid
CID 9447182
ethyl (E)-2-methyl-3-(2-prop-2-enoxyphenyl)prop-2-enoate
CID 15292046
(Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83955905
N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 659181
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
CID 70191473
CID 70191473
4-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788843
1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene
CID 79323305
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol
CID 79335813
(Z)-3-[2-[2-(dimethylazaniumyl)ethoxy]phenyl]-2-phenylprop-2-enoate
CID 42180657

Frequently Asked Questions

What is the IUPAC name of (Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid (CID 43352799) is (Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid is C=CCOc1ccccc1/C=C(\C(=O)O)c1ccccc1.
What is the InChIKey of (Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid?
The InChIKey is TZDHAHOURSWIIO-SSZFMOIBSA-N. The full InChI is InChI=1S/C18H16O3/c1-2-12-21-17-11-7-6-10-15(17)13-16(18(19)20)14-8-4-3-5-9-14/h2-11,13H,1,12H2,(H,19,20)/b16-13-.
What are the key properties of (Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid?
(Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid has a molecular weight of 280.32 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 43352799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).