(Z)-2-(3-ethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enoic acid

C20H22O3 — CID 83954942

IUPAC(Z)-2-(3-ethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enoic acid
SMILESCCOc1cccc(/C(=C/c2ccc(C(C)C)cc2)C(=O)O)c1
InChIInChI=1S/C20H22O3/c1-4-23-18-7-5-6-17(13-18)19(20(21)22)12-15-8-10-16(11-9-15)14(2)3/h5-14H,4H2,1-3H3,(H,21,22)/b19-12-
InChIKeyBHFIGOQQAITPIN-UNOMPAQXSA-N
MW310.39 g/mol
LogP4.83
Rot. Bonds6

About (Z)-2-(3-ethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enoic acid

(Z)-2-(3-ethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enoic acid (PubChem CID 83954942) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is (Z)-2-(3-ethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(3-ethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enoic acid
PubChem CID83954942
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name(Z)-2-(3-ethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enoic acid
SMILESCCOc1cccc(/C(=C/c2ccc(C(C)C)cc2)C(=O)O)c1
InChIInChI=1S/C20H22O3/c1-4-23-18-7-5-6-17(13-18)19(20(21)22)12-15-8-10-16(11-9-15)14(2)3/h5-14H,4H2,1-3H3,(H,21,22)/b19-12-
InChIKeyBHFIGOQQAITPIN-UNOMPAQXSA-N
XLogP4.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-2-carboxy-2-(3-ethoxyphenyl)ethenyl]benzoic acid
CID 83955793
(Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83955083
(Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid
CID 83954828
(Z)-2-(3-ethoxyphenyl)-3-pyridin-4-ylprop-2-enoic acid
CID 83956050
(Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid
CID 83954778
(Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83950730
(Z)-2-(3-chloro-4-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enoic acid
CID 83954935
(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83951771
3-[4-(4-propan-2-ylphenoxy)butoxy]benzoic acid
CID 82097997
3-(4-chlorophenyl)-2-(3,4-diethoxyphenyl)prop-2-enoic acid
CID 1421836
(Z)-3-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20984698
(Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83955905

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3-ethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(3-ethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enoic acid (CID 83954942) is (Z)-2-(3-ethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(3-ethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(3-ethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enoic acid is CCOc1cccc(/C(=C/c2ccc(C(C)C)cc2)C(=O)O)c1.
What is the InChIKey of (Z)-2-(3-ethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enoic acid?
The InChIKey is BHFIGOQQAITPIN-UNOMPAQXSA-N. The full InChI is InChI=1S/C20H22O3/c1-4-23-18-7-5-6-17(13-18)19(20(21)22)12-15-8-10-16(11-9-15)14(2)3/h5-14H,4H2,1-3H3,(H,21,22)/b19-12-.
What are the key properties of (Z)-2-(3-ethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enoic acid?
(Z)-2-(3-ethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enoic acid has a molecular weight of 310.39 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3-ethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enoic acid is sourced from PubChem (CID 83954942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).