(Z)-3-(4-propoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoic acid

C22H24O3 — CID 83951899

IUPAC(Z)-3-(4-propoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoic acid
SMILESCCCOc1ccc(/C=C(\C(=O)O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C22H24O3/c1-2-13-25-20-11-7-16(8-12-20)14-21(22(23)24)19-10-9-17-5-3-4-6-18(17)15-19/h7-12,14-15H,2-6,13H2,1H3,(H,23,24)/b21-14-
InChIKeyGMEHLCJBWKWAIY-STZFKDTASA-N
MW336.43 g/mol
LogP4.98
Rot. Bonds6

About (Z)-3-(4-propoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoic acid

(Z)-3-(4-propoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoic acid (PubChem CID 83951899) has the molecular formula C22H24O3 and a molecular weight of 336.43 g/mol. Its IUPAC name is (Z)-3-(4-propoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(4-propoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoic acid
PubChem CID83951899
Molecular FormulaC22H24O3
Molecular Weight336.43 g/mol
Exact Mass336.17
IUPAC Name(Z)-3-(4-propoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoic acid
SMILESCCCOc1ccc(/C=C(\C(=O)O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C22H24O3/c1-2-13-25-20-11-7-16(8-12-20)14-21(22(23)24)19-10-9-17-5-3-4-6-18(17)15-19/h7-12,14-15H,2-6,13H2,1H3,(H,23,24)/b21-14-
InChIKeyGMEHLCJBWKWAIY-STZFKDTASA-N
XLogP4.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.98
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'}

Analyze (Z)-3-(4-propoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-aminophenyl)-3-(4-propoxyphenyl)prop-2-enoic acid
CID 54537556
2-(4-aminophenyl)-3-(4-hexoxyphenyl)prop-2-enoic acid
CID 54230127
4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide
CID 133169944
(E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid
CID 22685167
(E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid
CID 118274610
(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83950433
2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone
CID 115794025
(E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20987581
2-(bromomethyl)-3-(4-propoxyphenyl)prop-2-enoic acid
CID 54436128
2-[(4-butoxyphenyl)methylidene]propanedioic acid
CID 21291628
(Z)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylprop-2-enoic acid
CID 83951585
(Z)-3-(4-butoxyphenyl)-2-(2,5-dimethylphenyl)prop-2-enoic acid
CID 83951937

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-propoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(4-propoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoic acid (CID 83951899) is (Z)-3-(4-propoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(4-propoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(4-propoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoic acid is CCCOc1ccc(/C=C(\C(=O)O)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of (Z)-3-(4-propoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoic acid?
The InChIKey is GMEHLCJBWKWAIY-STZFKDTASA-N. The full InChI is InChI=1S/C22H24O3/c1-2-13-25-20-11-7-16(8-12-20)14-21(22(23)24)19-10-9-17-5-3-4-6-18(17)15-19/h7-12,14-15H,2-6,13H2,1H3,(H,23,24)/b21-14-.
What are the key properties of (Z)-3-(4-propoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoic acid?
(Z)-3-(4-propoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoic acid has a molecular weight of 336.43 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-propoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoic acid is sourced from PubChem (CID 83951899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).