(Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid

C21H24O4 — CID 83954614

IUPAC(Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid
SMILESCCCCCOc1ccccc1/C=C(\C(=O)O)c1ccccc1OC
InChIInChI=1S/C21H24O4/c1-3-4-9-14-25-19-12-7-5-10-16(19)15-18(21(22)23)17-11-6-8-13-20(17)24-2/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,22,23)/b18-15-
InChIKeyHLPDYQFNXWSYOS-SDXDJHTJSA-N
MW340.42 g/mol
LogP4.89
Rot. Bonds9

About (Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid

(Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid (PubChem CID 83954614) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is (Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid
PubChem CID83954614
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name(Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid
SMILESCCCCCOc1ccccc1/C=C(\C(=O)O)c1ccccc1OC
InChIInChI=1S/C21H24O4/c1-3-4-9-14-25-19-12-7-5-10-16(19)15-18(21(22)23)17-11-6-8-13-20(17)24-2/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,22,23)/b18-15-
InChIKeyHLPDYQFNXWSYOS-SDXDJHTJSA-N
XLogP4.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze (Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)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

(Z)-3-(2-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83955918
(E)-2-methyl-3-(2-tetradecoxyphenyl)prop-2-enoic acid
CID 12636969
(Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 112720535
2-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-enoic acid
CID 54099002
2-pentoxybenzoic acid;hydrochloride
CID 70416265
trimethylsilyl (E)-2,3-bis(2-methoxyphenyl)prop-2-enoate
CID 10594452
2-dodecoxybenzoic acid;nickel
CID 87443191
2-nonoxybenzoic acid;zinc
CID 70396181
(Z)-3-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83954743
(Z)-3-[4-(diethylamino)phenyl]-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83951109
(E)-4-(3-hexoxy-2-methoxyphenyl)-2-oxobut-3-enoic acid
CID 82160648
(Z)-3-(2-butoxyphenyl)-2-(3-fluoro-4-methylphenyl)prop-2-enoic acid
CID 83954516

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid (CID 83954614) is (Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid is CCCCCOc1ccccc1/C=C(\C(=O)O)c1ccccc1OC.
What is the InChIKey of (Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid?
The InChIKey is HLPDYQFNXWSYOS-SDXDJHTJSA-N. The full InChI is InChI=1S/C21H24O4/c1-3-4-9-14-25-19-12-7-5-10-16(19)15-18(21(22)23)17-11-6-8-13-20(17)24-2/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,22,23)/b18-15-.
What are the key properties of (Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid?
(Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid has a molecular weight of 340.42 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83954614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).