4-(3-chlorophenyl)-1-ethynyl-2-methoxybenzene

C15H11ClO — CID 146034914

IUPAC4-(3-chlorophenyl)-1-ethynyl-2-methoxybenzene
SMILESC#Cc1ccc(-c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C15H11ClO/c1-3-11-7-8-13(10-15(11)17-2)12-5-4-6-14(16)9-12/h1,4-10H,2H3
InChIKeyDCFYTTAFUINJCO-UHFFFAOYSA-N
MW242.70 g/mol
LogP4.00
Rot. Bonds2

About 4-(3-chlorophenyl)-1-ethynyl-2-methoxybenzene

4-(3-chlorophenyl)-1-ethynyl-2-methoxybenzene (PubChem CID 146034914) has the molecular formula C15H11ClO and a molecular weight of 242.70 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-ethynyl-2-methoxybenzene.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-ethynyl-2-methoxybenzene
PubChem CID146034914
Molecular FormulaC15H11ClO
Molecular Weight242.70 g/mol
Exact Mass242.05
IUPAC Name4-(3-chlorophenyl)-1-ethynyl-2-methoxybenzene
SMILESC#Cc1ccc(-c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C15H11ClO/c1-3-11-7-8-13(10-15(11)17-2)12-5-4-6-14(16)9-12/h1,4-10H,2H3
InChIKeyDCFYTTAFUINJCO-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-ethynyl-2-methoxybenzene?
The IUPAC name of 4-(3-chlorophenyl)-1-ethynyl-2-methoxybenzene (CID 146034914) is 4-(3-chlorophenyl)-1-ethynyl-2-methoxybenzene.
What is the SMILES notation for 4-(3-chlorophenyl)-1-ethynyl-2-methoxybenzene?
The canonical SMILES for 4-(3-chlorophenyl)-1-ethynyl-2-methoxybenzene is C#Cc1ccc(-c2cccc(Cl)c2)cc1OC.
What is the InChIKey of 4-(3-chlorophenyl)-1-ethynyl-2-methoxybenzene?
The InChIKey is DCFYTTAFUINJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO/c1-3-11-7-8-13(10-15(11)17-2)12-5-4-6-14(16)9-12/h1,4-10H,2H3.
What are the key properties of 4-(3-chlorophenyl)-1-ethynyl-2-methoxybenzene?
4-(3-chlorophenyl)-1-ethynyl-2-methoxybenzene has a molecular weight of 242.70 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-ethynyl-2-methoxybenzene is sourced from PubChem (CID 146034914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).