4-naphthalen-2-ylbut-3-ynoic acid

C14H10O2 — CID 162688593

IUPAC4-naphthalen-2-ylbut-3-ynoic acid
SMILESO=C(O)CC#Cc1ccc2ccccc2c1
InChIInChI=1S/C14H10O2/c15-14(16)7-3-4-11-8-9-12-5-1-2-6-13(12)10-11/h1-2,5-6,8-10H,7H2,(H,15,16)
InChIKeyVYEIWRPWBRECCB-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.67
Rot. Bonds1

About 4-naphthalen-2-ylbut-3-ynoic acid

4-naphthalen-2-ylbut-3-ynoic acid (PubChem CID 162688593) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-naphthalen-2-ylbut-3-ynoic acid.

Molecular Properties

Compound Name4-naphthalen-2-ylbut-3-ynoic acid
PubChem CID162688593
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Name4-naphthalen-2-ylbut-3-ynoic acid
SMILESO=C(O)CC#Cc1ccc2ccccc2c1
InChIInChI=1S/C14H10O2/c15-14(16)7-3-4-11-8-9-12-5-1-2-6-13(12)10-11/h1-2,5-6,8-10H,7H2,(H,15,16)
InChIKeyVYEIWRPWBRECCB-UHFFFAOYSA-N
XLogP2.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-naphthalen-2-ylbut-3-ynoic acid 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-naphthalen-2-ylbut-3-ynenitrile
CID 170474971
4-(4-cyanophenyl)but-3-ynoic acid
CID 91875085
4-(4-aminophenyl)but-3-ynoic acid
CID 67843396
2-hex-1-ynylnaphthalene
CID 15311977
4-[3-(trifluoromethyl)phenyl]but-3-ynoic acid
CID 57429633
phenyl 6-(2-naphthalen-2-ylethynyl)naphthalene-2-carboxylate
CID 20724491
5-[4-(2-naphthalen-2-ylethynyl)phenyl]benzene-1,3-dicarboxylic acid
CID 139949356
2-(2-phenylethynyl)anthracene
CID 143875510
methyl 5-naphthalen-2-yl-2-(2-phenylethyl)pent-4-ynoate
CID 67187942
2-(3-naphthalen-2-ylprop-2-ynyl)aniline
CID 135078616
4-(4-nitrophenyl)but-3-ynoic acid
CID 91875083
2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide
CID 51332454

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-ylbut-3-ynoic acid?
The IUPAC name of 4-naphthalen-2-ylbut-3-ynoic acid (CID 162688593) is 4-naphthalen-2-ylbut-3-ynoic acid.
What is the SMILES notation for 4-naphthalen-2-ylbut-3-ynoic acid?
The canonical SMILES for 4-naphthalen-2-ylbut-3-ynoic acid is O=C(O)CC#Cc1ccc2ccccc2c1.
What is the InChIKey of 4-naphthalen-2-ylbut-3-ynoic acid?
The InChIKey is VYEIWRPWBRECCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2/c15-14(16)7-3-4-11-8-9-12-5-1-2-6-13(12)10-11/h1-2,5-6,8-10H,7H2,(H,15,16).
What are the key properties of 4-naphthalen-2-ylbut-3-ynoic acid?
4-naphthalen-2-ylbut-3-ynoic acid has a molecular weight of 210.23 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-ylbut-3-ynoic acid is sourced from PubChem (CID 162688593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).