methyl 3-methoxy-3-(7-phenylnaphthalen-1-yl)prop-2-enoate

C21H18O3 — CID 54441570

IUPACmethyl 3-methoxy-3-(7-phenylnaphthalen-1-yl)prop-2-enoate
SMILESCOC(=O)C=C(OC)c1cccc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C21H18O3/c1-23-20(14-21(22)24-2)18-10-6-9-16-11-12-17(13-19(16)18)15-7-4-3-5-8-15/h3-14H,1-2H3
InChIKeyWOLTWNQIDYMFAQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.67
Rot. Bonds4

About methyl 3-methoxy-3-(7-phenylnaphthalen-1-yl)prop-2-enoate

methyl 3-methoxy-3-(7-phenylnaphthalen-1-yl)prop-2-enoate (PubChem CID 54441570) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is methyl 3-methoxy-3-(7-phenylnaphthalen-1-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-methoxy-3-(7-phenylnaphthalen-1-yl)prop-2-enoate
PubChem CID54441570
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Namemethyl 3-methoxy-3-(7-phenylnaphthalen-1-yl)prop-2-enoate
SMILESCOC(=O)C=C(OC)c1cccc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C21H18O3/c1-23-20(14-21(22)24-2)18-10-6-9-16-11-12-17(13-19(16)18)15-7-4-3-5-8-15/h3-14H,1-2H3
InChIKeyWOLTWNQIDYMFAQ-UHFFFAOYSA-N
XLogP4.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 3-methoxy-3-(7-phenylnaphthalen-1-yl)prop-2-enoate 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

3-methoxy-3-[7-(phenoxymethyl)naphthalen-1-yl]prop-2-enoic acid
CID 67734587
methyl 3-[2-(bromomethyl)phenyl]-3-methoxyprop-2-enoate
CID 54337948
methyl 3-(methylamino)-3-naphthalen-1-ylprop-2-enoate
CID 70419012
3-[4-[(E)-4-methoxy-4-oxobut-2-en-2-yl]phenyl]benzoic acid
CID 82543496
dimethyl (E)-2-(3-phenylanilino)but-2-enedioate
CID 14626592
(Z)-1,3-diphenyl-3-[7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]prop-2-en-1-imine
CID 166569065
(Z)-3-[7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine
CID 166568902
methyl (E)-3-methoxy-3-(3-nitrophenyl)prop-2-enoate
CID 91622412
methyl (Z)-4-hydroxy-4-naphthalen-1-yl-2-oxobut-3-enoate
CID 17245071
(Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine
CID 166569028
(Z)-3-[7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine
CID 166568749
(Z)-3-[7-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine
CID 166568910

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-3-(7-phenylnaphthalen-1-yl)prop-2-enoate?
The IUPAC name of methyl 3-methoxy-3-(7-phenylnaphthalen-1-yl)prop-2-enoate (CID 54441570) is methyl 3-methoxy-3-(7-phenylnaphthalen-1-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-methoxy-3-(7-phenylnaphthalen-1-yl)prop-2-enoate?
The canonical SMILES for methyl 3-methoxy-3-(7-phenylnaphthalen-1-yl)prop-2-enoate is COC(=O)C=C(OC)c1cccc2ccc(-c3ccccc3)cc12.
What is the InChIKey of methyl 3-methoxy-3-(7-phenylnaphthalen-1-yl)prop-2-enoate?
The InChIKey is WOLTWNQIDYMFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-23-20(14-21(22)24-2)18-10-6-9-16-11-12-17(13-19(16)18)15-7-4-3-5-8-15/h3-14H,1-2H3.
What are the key properties of methyl 3-methoxy-3-(7-phenylnaphthalen-1-yl)prop-2-enoate?
methyl 3-methoxy-3-(7-phenylnaphthalen-1-yl)prop-2-enoate has a molecular weight of 318.37 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-3-(7-phenylnaphthalen-1-yl)prop-2-enoate is sourced from PubChem (CID 54441570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).