methyl 3-(4-methylphenyl)-2-naphthalen-2-ylprop-2-enoate

C21H18O2 — CID 53449415

IUPACmethyl 3-(4-methylphenyl)-2-naphthalen-2-ylprop-2-enoate
SMILESCOC(=O)C(=Cc1ccc(C)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C21H18O2/c1-15-7-9-16(10-8-15)13-20(21(22)23-2)19-12-11-17-5-3-4-6-18(17)14-19/h3-14H,1-2H3
InChIKeyPJNPFNFAFQGGEV-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.86
Rot. Bonds3

About methyl 3-(4-methylphenyl)-2-naphthalen-2-ylprop-2-enoate

methyl 3-(4-methylphenyl)-2-naphthalen-2-ylprop-2-enoate (PubChem CID 53449415) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is methyl 3-(4-methylphenyl)-2-naphthalen-2-ylprop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(4-methylphenyl)-2-naphthalen-2-ylprop-2-enoate
PubChem CID53449415
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Namemethyl 3-(4-methylphenyl)-2-naphthalen-2-ylprop-2-enoate
SMILESCOC(=O)C(=Cc1ccc(C)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C21H18O2/c1-15-7-9-16(10-8-15)13-20(21(22)23-2)19-12-11-17-5-3-4-6-18(17)14-19/h3-14H,1-2H3
InChIKeyPJNPFNFAFQGGEV-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-naphthalen-2-yl-2-oxoacetate
CID 3726008
1-(4-methylphenyl)-4-naphthalen-2-ylbut-2-ene-1,4-dione
CID 139710300
methyl (E)-3-(4-bromophenyl)-2-phenylprop-2-enoate
CID 102281008
dimethyl 2-[(4-methylphenyl)methylidene]propanedioate
CID 12501489
4-methylbenzoic acid;naphthalene-2-carbaldehyde
CID 88811859
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523541
methyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate
CID 130130051
methyl 2-methyl-3-(4-methylphenyl)prop-2-enoate
CID 71350081
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl (2E,4E)-2-methoxy-5-naphthalen-2-ylhexa-2,4-dienoate
CID 139785095
methyl (E)-3-methoxy-2-(4-methylphenyl)prop-2-enoate
CID 11074540
methyl (E)-2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]phenyl]-3-(4-methylphenyl)prop-2-enoate
CID 45138038

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methylphenyl)-2-naphthalen-2-ylprop-2-enoate?
The IUPAC name of methyl 3-(4-methylphenyl)-2-naphthalen-2-ylprop-2-enoate (CID 53449415) is methyl 3-(4-methylphenyl)-2-naphthalen-2-ylprop-2-enoate.
What is the SMILES notation for methyl 3-(4-methylphenyl)-2-naphthalen-2-ylprop-2-enoate?
The canonical SMILES for methyl 3-(4-methylphenyl)-2-naphthalen-2-ylprop-2-enoate is COC(=O)C(=Cc1ccc(C)cc1)c1ccc2ccccc2c1.
What is the InChIKey of methyl 3-(4-methylphenyl)-2-naphthalen-2-ylprop-2-enoate?
The InChIKey is PJNPFNFAFQGGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-15-7-9-16(10-8-15)13-20(21(22)23-2)19-12-11-17-5-3-4-6-18(17)14-19/h3-14H,1-2H3.
What are the key properties of methyl 3-(4-methylphenyl)-2-naphthalen-2-ylprop-2-enoate?
methyl 3-(4-methylphenyl)-2-naphthalen-2-ylprop-2-enoate has a molecular weight of 302.37 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methylphenyl)-2-naphthalen-2-ylprop-2-enoate is sourced from PubChem (CID 53449415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).