methyl 6-prop-2-enylnaphthalene-2-carboxylate

C15H14O2 — CID 163936800

IUPACmethyl 6-prop-2-enylnaphthalene-2-carboxylate
SMILESC=CCc1ccc2cc(C(=O)OC)ccc2c1
InChIInChI=1S/C15H14O2/c1-3-4-11-5-6-13-10-14(15(16)17-2)8-7-12(13)9-11/h3,5-10H,1,4H2,2H3
InChIKeyRNMTZQVLVAZDFG-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.35
Rot. Bonds3

About methyl 6-prop-2-enylnaphthalene-2-carboxylate

methyl 6-prop-2-enylnaphthalene-2-carboxylate (PubChem CID 163936800) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is methyl 6-prop-2-enylnaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-prop-2-enylnaphthalene-2-carboxylate
PubChem CID163936800
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Namemethyl 6-prop-2-enylnaphthalene-2-carboxylate
SMILESC=CCc1ccc2cc(C(=O)OC)ccc2c1
InChIInChI=1S/C15H14O2/c1-3-4-11-5-6-13-10-14(15(16)17-2)8-7-12(13)9-11/h3,5-10H,1,4H2,2H3
InChIKeyRNMTZQVLVAZDFG-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 6-prop-2-enylnaphthalene-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

dimethyl 2-prop-2-enylbenzene-1,4-dicarboxylate
CID 69498323
methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate
CID 11241748
2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid
CID 143785818
2-methoxy-6-prop-2-enylnaphthalene
CID 55253268
methyl 6-[(Z)-pent-2-en-3-yl]naphthalene-2-carboxylate
CID 67158729
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
potassium 6-methoxycarbonylnaphthalene-2-carboxylate
CID 146050692
methyl 3-[[3,5-bis(prop-2-enyl)phenyl]methylamino]benzoate
CID 135233265
methyl 3-prop-2-enyl-4-(trifluoromethylsulfonyloxy)benzoate
CID 22574964
methyl 6-(2-cyanoacetyl)naphthalene-2-carboxylate
CID 146356427

Frequently Asked Questions

What is the IUPAC name of methyl 6-prop-2-enylnaphthalene-2-carboxylate?
The IUPAC name of methyl 6-prop-2-enylnaphthalene-2-carboxylate (CID 163936800) is methyl 6-prop-2-enylnaphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-prop-2-enylnaphthalene-2-carboxylate?
The canonical SMILES for methyl 6-prop-2-enylnaphthalene-2-carboxylate is C=CCc1ccc2cc(C(=O)OC)ccc2c1.
What is the InChIKey of methyl 6-prop-2-enylnaphthalene-2-carboxylate?
The InChIKey is RNMTZQVLVAZDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-3-4-11-5-6-13-10-14(15(16)17-2)8-7-12(13)9-11/h3,5-10H,1,4H2,2H3.
What are the key properties of methyl 6-prop-2-enylnaphthalene-2-carboxylate?
methyl 6-prop-2-enylnaphthalene-2-carboxylate has a molecular weight of 226.27 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-prop-2-enylnaphthalene-2-carboxylate is sourced from PubChem (CID 163936800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).