(Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-phenylprop-2-enoic acid

C24H24O5 — CID 11741233

IUPAC(Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-phenylprop-2-enoic acid
SMILESCCc1cccc2c(/C=C(\C(=O)O)c3ccccc3)cc(OC)c(OCOC)c12
InChIInChI=1S/C24H24O5/c1-4-16-11-8-12-19-18(13-20(24(25)26)17-9-6-5-7-10-17)14-21(28-3)23(22(16)19)29-15-27-2/h5-14H,4,15H2,1-3H3,(H,25,26)/b20-13-
InChIKeyLSCXALSBXHJSOA-MOSHPQCFSA-N
MW392.45 g/mol
LogP5.02
Rot. Bonds8

About (Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-phenylprop-2-enoic acid

(Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-phenylprop-2-enoic acid (PubChem CID 11741233) has the molecular formula C24H24O5 and a molecular weight of 392.45 g/mol. Its IUPAC name is (Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-phenylprop-2-enoic acid
PubChem CID11741233
Molecular FormulaC24H24O5
Molecular Weight392.45 g/mol
Exact Mass392.16
IUPAC Name(Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-phenylprop-2-enoic acid
SMILESCCc1cccc2c(/C=C(\C(=O)O)c3ccccc3)cc(OC)c(OCOC)c12
InChIInChI=1S/C24H24O5/c1-4-16-11-8-12-19-18(13-20(24(25)26)17-9-6-5-7-10-17)14-21(28-3)23(22(16)19)29-15-27-2/h5-14H,4,15H2,1-3H3,(H,25,26)/b20-13-
InChIKeyLSCXALSBXHJSOA-MOSHPQCFSA-N
XLogP5.02
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-phenylprop-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

ethyl (Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-methylprop-2-enoate
CID 10316348
(2Z)-2-[[3-methoxy-4-(methoxymethoxy)-5-propylnaphthalen-1-yl]methylidene]butanoic acid
CID 10383765
ethyl (E)-3-[3-ethoxy-5-ethyl-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate
CID 10338451
ethyl (E)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]but-2-enoate
CID 10066966
5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalene-1-carbaldehyde
CID 10471842
ethyl (Z)-3-[5-ethyl-3-(2-methoxyethoxy)-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate
CID 10385609
ethyl (Z)-3-[5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalen-1-yl]prop-2-enoate
CID 10250397
ethyl (E)-3-[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]prop-2-enoate
CID 10019525
(Z)-3-(2,3-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid
CID 83951414
(Z)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-phenylprop-2-enoic acid
CID 22681917
(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20988799
(E)-3-(4-hydroxy-3-methoxy-5-propylnaphthalen-1-yl)-2-methylprop-2-enoic acid
CID 10086171

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-phenylprop-2-enoic acid?
The IUPAC name of (Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-phenylprop-2-enoic acid (CID 11741233) is (Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-phenylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-phenylprop-2-enoic acid?
The canonical SMILES for (Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-phenylprop-2-enoic acid is CCc1cccc2c(/C=C(\C(=O)O)c3ccccc3)cc(OC)c(OCOC)c12.
What is the InChIKey of (Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-phenylprop-2-enoic acid?
The InChIKey is LSCXALSBXHJSOA-MOSHPQCFSA-N. The full InChI is InChI=1S/C24H24O5/c1-4-16-11-8-12-19-18(13-20(24(25)26)17-9-6-5-7-10-17)14-21(28-3)23(22(16)19)29-15-27-2/h5-14H,4,15H2,1-3H3,(H,25,26)/b20-13-.
What are the key properties of (Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-phenylprop-2-enoic acid?
(Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-phenylprop-2-enoic acid has a molecular weight of 392.45 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-phenylprop-2-enoic acid is sourced from PubChem (CID 11741233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).