4-(2,3,5,6-tetrachlorophenyl)but-3-yn-1-ol

C10H6Cl4O — CID 60800406

IUPAC4-(2,3,5,6-tetrachlorophenyl)but-3-yn-1-ol
SMILESOCCC#Cc1c(Cl)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C10H6Cl4O/c11-7-5-8(12)10(14)6(9(7)13)3-1-2-4-15/h5,15H,2,4H2
InChIKeyMYWSCKXTUGBNAM-UHFFFAOYSA-N
MW283.97 g/mol
LogP4.03
Rot. Bonds1

About 4-(2,3,5,6-tetrachlorophenyl)but-3-yn-1-ol

4-(2,3,5,6-tetrachlorophenyl)but-3-yn-1-ol (PubChem CID 60800406) has the molecular formula C10H6Cl4O and a molecular weight of 283.97 g/mol. Its IUPAC name is 4-(2,3,5,6-tetrachlorophenyl)but-3-yn-1-ol.

Molecular Properties

Compound Name4-(2,3,5,6-tetrachlorophenyl)but-3-yn-1-ol
PubChem CID60800406
Molecular FormulaC10H6Cl4O
Molecular Weight283.97 g/mol
Exact Mass281.92
IUPAC Name4-(2,3,5,6-tetrachlorophenyl)but-3-yn-1-ol
SMILESOCCC#Cc1c(Cl)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C10H6Cl4O/c11-7-5-8(12)10(14)6(9(7)13)3-1-2-4-15/h5,15H,2,4H2
InChIKeyMYWSCKXTUGBNAM-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.97
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2,3,4,6-tetrachlorophenyl)pent-4-yn-1-ol
CID 105349771
4-(2-chloro-6-methoxyphenyl)but-3-yn-1-ol
CID 130609909
4-(2,4,6-trimethoxyphenyl)but-3-yn-1-ol
CID 54923371
4-(2-fluoro-4,6-dimethylphenyl)but-3-yn-1-ol
CID 106882135
4-(3,5-dimethylphenyl)but-3-yn-1-ol
CID 60918613
3-(2,6-dichloro-4-fluorophenyl)prop-2-yn-1-ol
CID 169484873
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(4-hydroxybut-1-ynyl)pyrazole-3-carbonitrile
CID 23227970
4-[4-(4-chlorophenoxy)phenyl]but-3-yn-1-ol
CID 21322277
5-(2-chloro-4,5-difluorophenyl)pent-4-yn-1-ol
CID 107476752
4-(5-chloro-1-benzofuran-2-yl)but-3-yn-1-ol
CID 114731521
3-chloro-4-(4-hydroxybut-1-ynyl)-N-(2-methylbutan-2-yl)benzamide
CID 81291243
4-(3-chloroquinoxalin-2-yl)but-3-yn-1-ol
CID 12658918

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5,6-tetrachlorophenyl)but-3-yn-1-ol?
The IUPAC name of 4-(2,3,5,6-tetrachlorophenyl)but-3-yn-1-ol (CID 60800406) is 4-(2,3,5,6-tetrachlorophenyl)but-3-yn-1-ol.
What is the SMILES notation for 4-(2,3,5,6-tetrachlorophenyl)but-3-yn-1-ol?
The canonical SMILES for 4-(2,3,5,6-tetrachlorophenyl)but-3-yn-1-ol is OCCC#Cc1c(Cl)c(Cl)cc(Cl)c1Cl.
What is the InChIKey of 4-(2,3,5,6-tetrachlorophenyl)but-3-yn-1-ol?
The InChIKey is MYWSCKXTUGBNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl4O/c11-7-5-8(12)10(14)6(9(7)13)3-1-2-4-15/h5,15H,2,4H2.
What are the key properties of 4-(2,3,5,6-tetrachlorophenyl)but-3-yn-1-ol?
4-(2,3,5,6-tetrachlorophenyl)but-3-yn-1-ol has a molecular weight of 283.97 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6-tetrachlorophenyl)but-3-yn-1-ol is sourced from PubChem (CID 60800406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).