4-methyl-5-(4-phenoxyphenyl)pentan-2-one

C18H20O2 — CID 83938966

IUPAC4-methyl-5-(4-phenoxyphenyl)pentan-2-one
SMILESCC(=O)CC(C)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H20O2/c1-14(12-15(2)19)13-16-8-10-18(11-9-16)20-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3
InChIKeyCVUJCNRKCXOLNQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.64
Rot. Bonds6

About 4-methyl-5-(4-phenoxyphenyl)pentan-2-one

4-methyl-5-(4-phenoxyphenyl)pentan-2-one (PubChem CID 83938966) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-methyl-5-(4-phenoxyphenyl)pentan-2-one.

Molecular Properties

Compound Name4-methyl-5-(4-phenoxyphenyl)pentan-2-one
PubChem CID83938966
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-methyl-5-(4-phenoxyphenyl)pentan-2-one
SMILESCC(=O)CC(C)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H20O2/c1-14(12-15(2)19)13-16-8-10-18(11-9-16)20-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3
InChIKeyCVUJCNRKCXOLNQ-UHFFFAOYSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one
CID 59660716
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one;hydrochloride
CID 159787435
5-(4-bromophenyl)-4-methylpentan-2-one
CID 64718506
2-(4-phenoxyphenyl)ethane-1,1-diol
CID 20703819
methyl (3R)-3-methyl-4-phenylbutanoate
CID 641406
2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 133241102
2-methoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propanoic acid
CID 3025998
(2S)-2-(diethylamino)-3-(4-phenoxyphenyl)propanoic acid
CID 100553369
3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid
CID 70842776
(5R)-2,5-dimethyl-6-phenylhexan-3-one;3-methylbutan-2-one
CID 162136934
1-(2-methylpropyl)-4-[4-(4-phenoxyphenyl)sulfonylphenoxy]benzene
CID 139568524
4-[(2S)-2-aminopropyl]phenol;(4S)-5-(4-hydroxyphenyl)-4-methylpentan-2-one;hydrochloride
CID 158091851

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(4-phenoxyphenyl)pentan-2-one?
The IUPAC name of 4-methyl-5-(4-phenoxyphenyl)pentan-2-one (CID 83938966) is 4-methyl-5-(4-phenoxyphenyl)pentan-2-one.
What is the SMILES notation for 4-methyl-5-(4-phenoxyphenyl)pentan-2-one?
The canonical SMILES for 4-methyl-5-(4-phenoxyphenyl)pentan-2-one is CC(=O)CC(C)Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-methyl-5-(4-phenoxyphenyl)pentan-2-one?
The InChIKey is CVUJCNRKCXOLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-14(12-15(2)19)13-16-8-10-18(11-9-16)20-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 4-methyl-5-(4-phenoxyphenyl)pentan-2-one?
4-methyl-5-(4-phenoxyphenyl)pentan-2-one has a molecular weight of 268.36 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4-phenoxyphenyl)pentan-2-one is sourced from PubChem (CID 83938966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).