1-but-2-ynoxy-4-chloro-2-methoxybenzene

C11H11ClO2 — CID 131198166

IUPAC1-but-2-ynoxy-4-chloro-2-methoxybenzene
SMILESCC#CCOc1ccc(Cl)cc1OC
InChIInChI=1S/C11H11ClO2/c1-3-4-7-14-10-6-5-9(12)8-11(10)13-2/h5-6,8H,7H2,1-2H3
InChIKeyPZLDTWVWBBYBKP-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.75
Rot. Bonds3

About 1-but-2-ynoxy-4-chloro-2-methoxybenzene

1-but-2-ynoxy-4-chloro-2-methoxybenzene (PubChem CID 131198166) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 1-but-2-ynoxy-4-chloro-2-methoxybenzene.

Molecular Properties

Compound Name1-but-2-ynoxy-4-chloro-2-methoxybenzene
PubChem CID131198166
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name1-but-2-ynoxy-4-chloro-2-methoxybenzene
SMILESCC#CCOc1ccc(Cl)cc1OC
InChIInChI=1S/C11H11ClO2/c1-3-4-7-14-10-6-5-9(12)8-11(10)13-2/h5-6,8H,7H2,1-2H3
InChIKeyPZLDTWVWBBYBKP-UHFFFAOYSA-N
XLogP2.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-but-2-ynoxy-5-chlorobenzaldehyde
CID 62310355
methyl 2-but-2-ynoxy-5-chlorobenzoate
CID 121012121
N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 63056712
N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]propan-2-amine
CID 62310320
2-(2-but-2-ynoxy-5-chloro-3-methoxyphenyl)ethanamine
CID 113438911
(2-but-2-ynoxy-5-chloro-3-methoxyphenyl)methanamine
CID 104664143
1-but-2-ynoxy-4-chlorobenzene
CID 64765646
4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene
CID 68967130
1-(5-chloro-2-methoxyphenyl)pent-3-yn-1-one
CID 114964917
CID 175597573
CID 175597573
4-chloro-2-(2-chloroethoxy)-1-methoxybenzene
CID 19982180
(4-chloro-2-methoxyphenyl) 4-(4-chloro-2-methoxyphenoxy)butanoate
CID 14661643

Frequently Asked Questions

What is the IUPAC name of 1-but-2-ynoxy-4-chloro-2-methoxybenzene?
The IUPAC name of 1-but-2-ynoxy-4-chloro-2-methoxybenzene (CID 131198166) is 1-but-2-ynoxy-4-chloro-2-methoxybenzene.
What is the SMILES notation for 1-but-2-ynoxy-4-chloro-2-methoxybenzene?
The canonical SMILES for 1-but-2-ynoxy-4-chloro-2-methoxybenzene is CC#CCOc1ccc(Cl)cc1OC.
What is the InChIKey of 1-but-2-ynoxy-4-chloro-2-methoxybenzene?
The InChIKey is PZLDTWVWBBYBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-3-4-7-14-10-6-5-9(12)8-11(10)13-2/h5-6,8H,7H2,1-2H3.
What are the key properties of 1-but-2-ynoxy-4-chloro-2-methoxybenzene?
1-but-2-ynoxy-4-chloro-2-methoxybenzene has a molecular weight of 210.66 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-ynoxy-4-chloro-2-methoxybenzene is sourced from PubChem (CID 131198166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).