acetyl chloride;4-phenylphenol

C14H13ClO2 — CID 174878083

IUPACacetyl chloride;4-phenylphenol
SMILESCC(=O)Cl.Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10O.C2H3ClO/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2(3)4/h1-9,13H;1H3
InChIKeyAIVGITZIEBTGBV-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.83
Rot. Bonds1

About acetyl chloride;4-phenylphenol

acetyl chloride;4-phenylphenol (PubChem CID 174878083) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is acetyl chloride;4-phenylphenol.

Molecular Properties

Compound Nameacetyl chloride;4-phenylphenol
PubChem CID174878083
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Nameacetyl chloride;4-phenylphenol
SMILESCC(=O)Cl.Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10O.C2H3ClO/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2(3)4/h1-9,13H;1H3
InChIKeyAIVGITZIEBTGBV-UHFFFAOYSA-N
XLogP3.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
acetic acid;1,1'-biphenyl;ethane
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acetic acid;phenol
CID 70537927
carbonochloridic acid;phenol
CID 87237620
acetic acid;1,1'-biphenyl;zinc
CID 70522083
benzene;1,1'-biphenyl;phenol
CID 159528072
benzene-1,4-diol;bis(carbonochloridic acid)
CID 88626598
phenol;propan-2-one;hydrate
CID 161159865
4-(4-hydroxyphenyl)benzoyl chloride
CID 87880031
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
4-(4-hydroxyphenyl)phenol;methanol
CID 159599615
benzene;hypochlorous acid;phenol
CID 174898371

Frequently Asked Questions

What is the IUPAC name of acetyl chloride;4-phenylphenol?
The IUPAC name of acetyl chloride;4-phenylphenol (CID 174878083) is acetyl chloride;4-phenylphenol.
What is the SMILES notation for acetyl chloride;4-phenylphenol?
The canonical SMILES for acetyl chloride;4-phenylphenol is CC(=O)Cl.Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of acetyl chloride;4-phenylphenol?
The InChIKey is AIVGITZIEBTGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C2H3ClO/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2(3)4/h1-9,13H;1H3.
What are the key properties of acetyl chloride;4-phenylphenol?
acetyl chloride;4-phenylphenol has a molecular weight of 248.71 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl chloride;4-phenylphenol is sourced from PubChem (CID 174878083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).