2-[2-(4-methylphenoxy)phenyl]acetyl chloride

C15H13ClO2 — CID 173381947

IUPAC2-[2-(4-methylphenoxy)phenyl]acetyl chloride
SMILESCc1ccc(Oc2ccccc2CC(=O)Cl)cc1
InChIInChI=1S/C15H13ClO2/c1-11-6-8-13(9-7-11)18-14-5-3-2-4-12(14)10-15(16)17/h2-9H,10H2,1H3
InChIKeyGVOSJKSLSXKOCI-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.10
Rot. Bonds4

About 2-[2-(4-methylphenoxy)phenyl]acetyl chloride

2-[2-(4-methylphenoxy)phenyl]acetyl chloride (PubChem CID 173381947) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-[2-(4-methylphenoxy)phenyl]acetyl chloride.

Molecular Properties

Compound Name2-[2-(4-methylphenoxy)phenyl]acetyl chloride
PubChem CID173381947
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name2-[2-(4-methylphenoxy)phenyl]acetyl chloride
SMILESCc1ccc(Oc2ccccc2CC(=O)Cl)cc1
InChIInChI=1S/C15H13ClO2/c1-11-6-8-13(9-7-11)18-14-5-3-2-4-12(14)10-15(16)17/h2-9H,10H2,1H3
InChIKeyGVOSJKSLSXKOCI-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide
CID 119777787
2-[2-(4-methylphenyl)phenyl]acetyl chloride
CID 23292502
[2-(2-chloro-2-oxoethyl)phenyl] acetate
CID 22613781
4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride
CID 119777786
2-[[2-(4-methylphenoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976878
2-methyl-3-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]propanamide
CID 119777795
1-chloro-4-(2-ethylphenoxy)benzene
CID 59800197
1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride
CID 170889351
amino 2-[2-(4-chlorophenoxy)phenyl]acetate
CID 66824654
1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one
CID 22998022
2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid
CID 21320367
3-[2-(4-methylphenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880515

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenoxy)phenyl]acetyl chloride?
The IUPAC name of 2-[2-(4-methylphenoxy)phenyl]acetyl chloride (CID 173381947) is 2-[2-(4-methylphenoxy)phenyl]acetyl chloride.
What is the SMILES notation for 2-[2-(4-methylphenoxy)phenyl]acetyl chloride?
The canonical SMILES for 2-[2-(4-methylphenoxy)phenyl]acetyl chloride is Cc1ccc(Oc2ccccc2CC(=O)Cl)cc1.
What is the InChIKey of 2-[2-(4-methylphenoxy)phenyl]acetyl chloride?
The InChIKey is GVOSJKSLSXKOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-11-6-8-13(9-7-11)18-14-5-3-2-4-12(14)10-15(16)17/h2-9H,10H2,1H3.
What are the key properties of 2-[2-(4-methylphenoxy)phenyl]acetyl chloride?
2-[2-(4-methylphenoxy)phenyl]acetyl chloride has a molecular weight of 260.72 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenoxy)phenyl]acetyl chloride is sourced from PubChem (CID 173381947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).