(4-prop-2-enoylphenyl) 6-propoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate

C23H24O4 — CID 59695922

IUPAC(4-prop-2-enoylphenyl) 6-propoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESC=CC(=O)c1ccc(OC(=O)C2CCc3cc(OCCC)ccc3C2)cc1
InChIInChI=1S/C23H24O4/c1-3-13-26-21-12-9-17-14-19(6-5-18(17)15-21)23(25)27-20-10-7-16(8-11-20)22(24)4-2/h4,7-12,15,19H,2-3,5-6,13-14H2,1H3
InChIKeyDAQZYIXWVYWKII-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.55
Rot. Bonds7

About (4-prop-2-enoylphenyl) 6-propoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate

(4-prop-2-enoylphenyl) 6-propoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate (PubChem CID 59695922) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is (4-prop-2-enoylphenyl) 6-propoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Name(4-prop-2-enoylphenyl) 6-propoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
PubChem CID59695922
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Name(4-prop-2-enoylphenyl) 6-propoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESC=CC(=O)c1ccc(OC(=O)C2CCc3cc(OCCC)ccc3C2)cc1
InChIInChI=1S/C23H24O4/c1-3-13-26-21-12-9-17-14-19(6-5-18(17)15-21)23(25)27-20-10-7-16(8-11-20)22(24)4-2/h4,7-12,15,19H,2-3,5-6,13-14H2,1H3
InChIKeyDAQZYIXWVYWKII-UHFFFAOYSA-N
XLogP4.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-prop-2-enoylphenyl) 6-propoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate 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

(4-decoxyphenyl) 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 19069952
6-[4-(4-decoxybenzoyl)oxybenzoyl]oxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 19070005
4-[4-(6-decanoyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl)oxyphenyl]benzoic acid
CID 23297278
(6-butoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-(5-iodo-1,3-oxazol-2-yl)methanone
CID 118358562
methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 22882753
(2S)-N-ethyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 129390519
[4-(4-propoxyphenoxy)carbonylphenyl] 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 58220405
6-[[4-(4-decoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 19070004
(4-prop-2-enoylphenyl) 7-[(4-prop-2-enoylphenoxy)methoxy]-9H-fluorene-2-carboxylate
CID 59695780
1-(2-fluoro-4-propoxyphenyl)prop-2-en-1-one
CID 19101297
1-[4-[4-[2-(6-pentoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl]phenyl]phenyl]prop-2-en-1-one
CID 59695813
1-[4-[(4-propylcyclohexyl)methoxy]phenyl]prop-2-en-1-one
CID 59695761

Frequently Asked Questions

What is the IUPAC name of (4-prop-2-enoylphenyl) 6-propoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of (4-prop-2-enoylphenyl) 6-propoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate (CID 59695922) is (4-prop-2-enoylphenyl) 6-propoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for (4-prop-2-enoylphenyl) 6-propoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for (4-prop-2-enoylphenyl) 6-propoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate is C=CC(=O)c1ccc(OC(=O)C2CCc3cc(OCCC)ccc3C2)cc1.
What is the InChIKey of (4-prop-2-enoylphenyl) 6-propoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The InChIKey is DAQZYIXWVYWKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O4/c1-3-13-26-21-12-9-17-14-19(6-5-18(17)15-21)23(25)27-20-10-7-16(8-11-20)22(24)4-2/h4,7-12,15,19H,2-3,5-6,13-14H2,1H3.
What are the key properties of (4-prop-2-enoylphenyl) 6-propoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
(4-prop-2-enoylphenyl) 6-propoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate has a molecular weight of 364.44 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enoylphenyl) 6-propoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 59695922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).