naphthalen-1-ylmethyl 3-phenylprop-2-ynoate

C20H14O2 — CID 14782739

IUPACnaphthalen-1-ylmethyl 3-phenylprop-2-ynoate
SMILESO=C(C#Cc1ccccc1)OCc1cccc2ccccc12
InChIInChI=1S/C20H14O2/c21-20(14-13-16-7-2-1-3-8-16)22-15-18-11-6-10-17-9-4-5-12-19(17)18/h1-12H,15H2
InChIKeyWLHUOURDEMIZSW-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.93
Rot. Bonds2

About naphthalen-1-ylmethyl 3-phenylprop-2-ynoate

naphthalen-1-ylmethyl 3-phenylprop-2-ynoate (PubChem CID 14782739) has the molecular formula C20H14O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is naphthalen-1-ylmethyl 3-phenylprop-2-ynoate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl 3-phenylprop-2-ynoate
PubChem CID14782739
Molecular FormulaC20H14O2
Molecular Weight286.33 g/mol
Exact Mass286.10
IUPAC Namenaphthalen-1-ylmethyl 3-phenylprop-2-ynoate
SMILESO=C(C#Cc1ccccc1)OCc1cccc2ccccc12
InChIInChI=1S/C20H14O2/c21-20(14-13-16-7-2-1-3-8-16)22-15-18-11-6-10-17-9-4-5-12-19(17)18/h1-12H,15H2
InChIKeyWLHUOURDEMIZSW-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze naphthalen-1-ylmethyl 3-phenylprop-2-ynoate 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-(3-phenylprop-2-ynoyloxy)butyl 3-phenylprop-2-ynoate
CID 2755244
3-(naphthalen-1-ylmethoxy)-3-oxopropanoic acid
CID 19783487
naphthalen-1-ylmethyl propanoate
CID 13262702
naphthalen-1-ylmethyl N-ethylcarbamate
CID 139990746
naphthalen-1-ylmethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
CID 141427624
1-(phenoxymethyl)naphthalene
CID 588110
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
CID 67883357
CID 67883357
2-naphthalen-1-yl-1-phenylethanone
CID 10900926
sodium naphthalen-1-ylmethyl hydrogen sulfate
CID 23620056
3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate
CID 7503589

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl 3-phenylprop-2-ynoate?
The IUPAC name of naphthalen-1-ylmethyl 3-phenylprop-2-ynoate (CID 14782739) is naphthalen-1-ylmethyl 3-phenylprop-2-ynoate.
What is the SMILES notation for naphthalen-1-ylmethyl 3-phenylprop-2-ynoate?
The canonical SMILES for naphthalen-1-ylmethyl 3-phenylprop-2-ynoate is O=C(C#Cc1ccccc1)OCc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylmethyl 3-phenylprop-2-ynoate?
The InChIKey is WLHUOURDEMIZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2/c21-20(14-13-16-7-2-1-3-8-16)22-15-18-11-6-10-17-9-4-5-12-19(17)18/h1-12H,15H2.
What are the key properties of naphthalen-1-ylmethyl 3-phenylprop-2-ynoate?
naphthalen-1-ylmethyl 3-phenylprop-2-ynoate has a molecular weight of 286.33 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl 3-phenylprop-2-ynoate is sourced from PubChem (CID 14782739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).