4-(8-iodonaphthalen-1-yl)-2-methylbut-3-yn-2-ol

C15H13IO — CID 10735570

IUPAC4-(8-iodonaphthalen-1-yl)-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1cccc2cccc(I)c12
InChIInChI=1S/C15H13IO/c1-15(2,17)10-9-12-6-3-5-11-7-4-8-13(16)14(11)12/h3-8,17H,1-2H3
InChIKeyWNZGJZPWUTWTMG-UHFFFAOYSA-N
MW336.17 g/mol
LogP3.57
Rot. Bonds

About 4-(8-iodonaphthalen-1-yl)-2-methylbut-3-yn-2-ol

4-(8-iodonaphthalen-1-yl)-2-methylbut-3-yn-2-ol (PubChem CID 10735570) has the molecular formula C15H13IO and a molecular weight of 336.17 g/mol. Its IUPAC name is 4-(8-iodonaphthalen-1-yl)-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-(8-iodonaphthalen-1-yl)-2-methylbut-3-yn-2-ol
PubChem CID10735570
Molecular FormulaC15H13IO
Molecular Weight336.17 g/mol
Exact Mass336.00
IUPAC Name4-(8-iodonaphthalen-1-yl)-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1cccc2cccc(I)c12
InChIInChI=1S/C15H13IO/c1-15(2,17)10-9-12-6-3-5-11-7-4-8-13(16)14(11)12/h3-8,17H,1-2H3
InChIKeyWNZGJZPWUTWTMG-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,8-bis(3,3-dimethylbut-1-ynyl)naphthalene
CID 169050200
2-methyl-4-perylen-3-ylbut-3-yn-2-ol
CID 10640466
2-(2,5-dimethylpyrrol-1-yl)-3-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid
CID 118078232
4-(2,5-difluorophenyl)-2-methylbut-3-yn-2-ol
CID 23006406
5-(3-hydroxy-3-methylbut-1-ynyl)-1H-pyrimidine-2,4-dione
CID 11579267
2-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)but-3-yn-2-ol
CID 156800732
3-(3,3-dimethylbut-1-ynyl)perylene
CID 102420310
4-[4-(3,4-difluorophenyl)-2-fluorophenyl]-2-methylbut-3-yn-2-ol
CID 135307691
2-methyl-4-quinoxalin-2-ylbut-3-yn-2-ol
CID 45103076
4-(2,5-dichlorophenyl)-2-methylbut-3-yn-2-ol
CID 23006409
4-(5-fluoroquinolin-8-yl)-2-methylbut-3-yn-2-ol
CID 66783994
2-(8-iodonaphthalen-1-yl)-N-methylaniline
CID 154707911

Frequently Asked Questions

What is the IUPAC name of 4-(8-iodonaphthalen-1-yl)-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-(8-iodonaphthalen-1-yl)-2-methylbut-3-yn-2-ol (CID 10735570) is 4-(8-iodonaphthalen-1-yl)-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-(8-iodonaphthalen-1-yl)-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-(8-iodonaphthalen-1-yl)-2-methylbut-3-yn-2-ol is CC(C)(O)C#Cc1cccc2cccc(I)c12.
What is the InChIKey of 4-(8-iodonaphthalen-1-yl)-2-methylbut-3-yn-2-ol?
The InChIKey is WNZGJZPWUTWTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IO/c1-15(2,17)10-9-12-6-3-5-11-7-4-8-13(16)14(11)12/h3-8,17H,1-2H3.
What are the key properties of 4-(8-iodonaphthalen-1-yl)-2-methylbut-3-yn-2-ol?
4-(8-iodonaphthalen-1-yl)-2-methylbut-3-yn-2-ol has a molecular weight of 336.17 g/mol, XLogP of 3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-iodonaphthalen-1-yl)-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 10735570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).