2-(3-phenoxyphenyl)acetyl chloride

C14H11ClO2 — CID 12940116

IUPAC2-(3-phenoxyphenyl)acetyl chloride
SMILESO=C(Cl)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H11ClO2/c15-14(16)10-11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9H,10H2
InChIKeyRATZPLZIGUZFOA-UHFFFAOYSA-N
MW246.69 g/mol
LogP3.79
Rot. Bonds4

About 2-(3-phenoxyphenyl)acetyl chloride

2-(3-phenoxyphenyl)acetyl chloride (PubChem CID 12940116) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is 2-(3-phenoxyphenyl)acetyl chloride.

Molecular Properties

Compound Name2-(3-phenoxyphenyl)acetyl chloride
PubChem CID12940116
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name2-(3-phenoxyphenyl)acetyl chloride
SMILESO=C(Cl)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H11ClO2/c15-14(16)10-11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9H,10H2
InChIKeyRATZPLZIGUZFOA-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 53.79
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

CID 174876749
CID 174876749
2-(3-ethoxyphenyl)acetyl chloride
CID 22994163
2-(3-propan-2-yloxyphenyl)acetyl chloride
CID 18333440
2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide
CID 174660546
2-(3-phenoxyphenyl)ethanethioamide
CID 54208261
2-[3-(4-fluorophenoxy)phenyl]acetic acid
CID 138754182
acetamide;2-(3-methoxyphenyl)acetyl chloride
CID 158389550
2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid
CID 162228691
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
N-[1-(3-phenoxyphenyl)propan-2-ylidene]hydroxylamine
CID 142649594
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
2-oxo-4-(3-phenoxyphenyl)butanoic acid
CID 82185753

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxyphenyl)acetyl chloride?
The IUPAC name of 2-(3-phenoxyphenyl)acetyl chloride (CID 12940116) is 2-(3-phenoxyphenyl)acetyl chloride.
What is the SMILES notation for 2-(3-phenoxyphenyl)acetyl chloride?
The canonical SMILES for 2-(3-phenoxyphenyl)acetyl chloride is O=C(Cl)Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-(3-phenoxyphenyl)acetyl chloride?
The InChIKey is RATZPLZIGUZFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c15-14(16)10-11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9H,10H2.
What are the key properties of 2-(3-phenoxyphenyl)acetyl chloride?
2-(3-phenoxyphenyl)acetyl chloride has a molecular weight of 246.69 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxyphenyl)acetyl chloride is sourced from PubChem (CID 12940116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).