phenol;4-phenylbutan-2-one

C16H18O2 — CID 160537429

IUPACphenol;4-phenylbutan-2-one
SMILESCC(=O)CCc1ccccc1.Oc1ccccc1
InChIInChI=1S/C10H12O.C6H6O/c1-9(11)7-8-10-5-3-2-4-6-10;7-6-4-2-1-3-5-6/h2-6H,7-8H2,1H3;1-5,7H
InChIKeyQWIMEDHGYAFYJB-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.60
Rot. Bonds3

About phenol;4-phenylbutan-2-one

phenol;4-phenylbutan-2-one (PubChem CID 160537429) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is phenol;4-phenylbutan-2-one.

Molecular Properties

Compound Namephenol;4-phenylbutan-2-one
PubChem CID160537429
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Namephenol;4-phenylbutan-2-one
SMILESCC(=O)CCc1ccccc1.Oc1ccccc1
InChIInChI=1S/C10H12O.C6H6O/c1-9(11)7-8-10-5-3-2-4-6-10;7-6-4-2-1-3-5-6/h2-6H,7-8H2,1H3;1-5,7H
InChIKeyQWIMEDHGYAFYJB-UHFFFAOYSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenylbutan-2-one;prop-1-ene
CID 166128425
5-phenylpentan-2-one
CID 16701
4-phenylbutan-1-amine;4-phenylbutan-2-one
CID 143577690
acetic acid;phenol
CID 70537927
phenol;propylbenzene
CID 18469730
3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid
CID 175603484
butyl acetate;4-phenylbutan-2-one
CID 174875943
phenol;propan-2-one;hydrate
CID 161159865
lanthanum;3-phenylpropanoic acid
CID 174887955
ethane;4-(4-methylphenyl)butan-2-one
CID 142847870
ethane;3-phenylpropanoyl chloride
CID 90742356
4-(2-phenylmethoxyphenyl)butan-2-one
CID 82184665

Frequently Asked Questions

What is the IUPAC name of phenol;4-phenylbutan-2-one?
The IUPAC name of phenol;4-phenylbutan-2-one (CID 160537429) is phenol;4-phenylbutan-2-one.
What is the SMILES notation for phenol;4-phenylbutan-2-one?
The canonical SMILES for phenol;4-phenylbutan-2-one is CC(=O)CCc1ccccc1.Oc1ccccc1.
What is the InChIKey of phenol;4-phenylbutan-2-one?
The InChIKey is QWIMEDHGYAFYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C6H6O/c1-9(11)7-8-10-5-3-2-4-6-10;7-6-4-2-1-3-5-6/h2-6H,7-8H2,1H3;1-5,7H.
What are the key properties of phenol;4-phenylbutan-2-one?
phenol;4-phenylbutan-2-one has a molecular weight of 242.32 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;4-phenylbutan-2-one is sourced from PubChem (CID 160537429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).