(Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid

C19H20O3 — CID 22682893

IUPAC(Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid
SMILESCCCCOc1cccc(/C=C(\C(=O)O)c2ccccc2)c1
InChIInChI=1S/C19H20O3/c1-2-3-12-22-17-11-7-8-15(13-17)14-18(19(20)21)16-9-5-4-6-10-16/h4-11,13-14H,2-3,12H2,1H3,(H,20,21)/b18-14-
InChIKeyDXQKJNJTSDZNML-JXAWBTAJSA-N
MW296.37 g/mol
LogP4.49
Rot. Bonds7

About (Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid

(Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid (PubChem CID 22682893) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid
PubChem CID22682893
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name(Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid
SMILESCCCCOc1cccc(/C=C(\C(=O)O)c2ccccc2)c1
InChIInChI=1S/C19H20O3/c1-2-3-12-22-17-11-7-8-15(13-17)14-18(19(20)21)16-9-5-4-6-10-16/h4-11,13-14H,2-3,12H2,1H3,(H,20,21)/b18-14-
InChIKeyDXQKJNJTSDZNML-JXAWBTAJSA-N
XLogP4.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid
CID 22685167
(Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid
CID 83954828
(Z)-3-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20984698
(Z)-2-phenyl-3-[3-(2-piperidin-1-ylethoxy)phenyl]prop-2-enoic acid
CID 20986724
(Z)-3-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20984254
(Z)-3-(3-acetyloxyphenyl)-2-phenylprop-2-enoic acid
CID 102239542
(E)-2-methyl-3-(3-tetradecoxyphenyl)prop-2-enoic acid
CID 12636970
3-(3-butoxyphenyl)prop-2-enoic acid
CID 54374126
(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
(Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid
CID 83954778
(Z)-3-(3-ethoxycarbonylphenyl)-2-phenylprop-2-enoic acid
CID 70571003
2-(3-butoxyphenoxy)-1-phenylethanone
CID 15692245

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid?
The IUPAC name of (Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid (CID 22682893) is (Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid?
The canonical SMILES for (Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid is CCCCOc1cccc(/C=C(\C(=O)O)c2ccccc2)c1.
What is the InChIKey of (Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid?
The InChIKey is DXQKJNJTSDZNML-JXAWBTAJSA-N. The full InChI is InChI=1S/C19H20O3/c1-2-3-12-22-17-11-7-8-15(13-17)14-18(19(20)21)16-9-5-4-6-10-16/h4-11,13-14H,2-3,12H2,1H3,(H,20,21)/b18-14-.
What are the key properties of (Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid?
(Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid has a molecular weight of 296.37 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid is sourced from PubChem (CID 22682893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).