4-(2-chloro-6-methoxyphenyl)but-3-yn-1-ol

C11H11ClO2 — CID 130609909

IUPAC4-(2-chloro-6-methoxyphenyl)but-3-yn-1-ol
SMILESCOc1cccc(Cl)c1C#CCCO
InChIInChI=1S/C11H11ClO2/c1-14-11-7-4-6-10(12)9(11)5-2-3-8-13/h4,6-7,13H,3,8H2,1H3
InChIKeyZHLJUMOEZMMZQX-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.08
Rot. Bonds2

About 4-(2-chloro-6-methoxyphenyl)but-3-yn-1-ol

4-(2-chloro-6-methoxyphenyl)but-3-yn-1-ol (PubChem CID 130609909) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 4-(2-chloro-6-methoxyphenyl)but-3-yn-1-ol.

Molecular Properties

Compound Name4-(2-chloro-6-methoxyphenyl)but-3-yn-1-ol
PubChem CID130609909
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name4-(2-chloro-6-methoxyphenyl)but-3-yn-1-ol
SMILESCOc1cccc(Cl)c1C#CCCO
InChIInChI=1S/C11H11ClO2/c1-14-11-7-4-6-10(12)9(11)5-2-3-8-13/h4,6-7,13H,3,8H2,1H3
InChIKeyZHLJUMOEZMMZQX-UHFFFAOYSA-N
XLogP2.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-chloro-6-methoxyphenyl)but-3-yn-1-ol 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

1-chloro-2-(5-chloropent-1-ynyl)-3-methoxybenzene
CID 131187600
6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine
CID 106208844
4-(2,3,5,6-tetrachlorophenyl)but-3-yn-1-ol
CID 60800406
1-chloro-2-hex-1-ynyl-3,4-dimethoxybenzene
CID 135074648
1-chloro-2-methoxybenzene
CID 13011
3-(2-fluoro-6-methoxyphenyl)prop-2-yne-1-thiol
CID 169486419
4-(2-bromo-6-phenylmethoxyphenyl)but-3-yn-1-ol
CID 166771802
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
[3-chloro-2-[(2-methoxyphenyl)methoxy]phenyl]methanol
CID 112612839
4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol
CID 54995677
2-chloro-6-methoxybenzenethiol
CID 91874124
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methoxyphenyl)but-3-yn-1-ol?
The IUPAC name of 4-(2-chloro-6-methoxyphenyl)but-3-yn-1-ol (CID 130609909) is 4-(2-chloro-6-methoxyphenyl)but-3-yn-1-ol.
What is the SMILES notation for 4-(2-chloro-6-methoxyphenyl)but-3-yn-1-ol?
The canonical SMILES for 4-(2-chloro-6-methoxyphenyl)but-3-yn-1-ol is COc1cccc(Cl)c1C#CCCO.
What is the InChIKey of 4-(2-chloro-6-methoxyphenyl)but-3-yn-1-ol?
The InChIKey is ZHLJUMOEZMMZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-14-11-7-4-6-10(12)9(11)5-2-3-8-13/h4,6-7,13H,3,8H2,1H3.
What are the key properties of 4-(2-chloro-6-methoxyphenyl)but-3-yn-1-ol?
4-(2-chloro-6-methoxyphenyl)but-3-yn-1-ol has a molecular weight of 210.66 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-methoxyphenyl)but-3-yn-1-ol is sourced from PubChem (CID 130609909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).