(4R)-4-(2-chloro-6-hydroxyphenyl)-4-phenylbutan-2-one

C16H15ClO2 — CID 122398641

IUPAC(4R)-4-(2-chloro-6-hydroxyphenyl)-4-phenylbutan-2-one
SMILESCC(=O)C[C@H](c1ccccc1)c1c(O)cccc1Cl
InChIInChI=1S/C16H15ClO2/c1-11(18)10-13(12-6-3-2-4-7-12)16-14(17)8-5-9-15(16)19/h2-9,13,19H,10H2,1H3/t13-/m1/s1
InChIKeyUOWNUUTVFVSWFA-CYBMUJFWSA-N
MW274.75 g/mol
LogP4.16
Rot. Bonds4

About (4R)-4-(2-chloro-6-hydroxyphenyl)-4-phenylbutan-2-one

(4R)-4-(2-chloro-6-hydroxyphenyl)-4-phenylbutan-2-one (PubChem CID 122398641) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is (4R)-4-(2-chloro-6-hydroxyphenyl)-4-phenylbutan-2-one.

Molecular Properties

Compound Name(4R)-4-(2-chloro-6-hydroxyphenyl)-4-phenylbutan-2-one
PubChem CID122398641
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name(4R)-4-(2-chloro-6-hydroxyphenyl)-4-phenylbutan-2-one
SMILESCC(=O)C[C@H](c1ccccc1)c1c(O)cccc1Cl
InChIInChI=1S/C16H15ClO2/c1-11(18)10-13(12-6-3-2-4-7-12)16-14(17)8-5-9-15(16)19/h2-9,13,19H,10H2,1H3/t13-/m1/s1
InChIKeyUOWNUUTVFVSWFA-CYBMUJFWSA-N
XLogP4.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one
CID 102313835
2-(2-chloro-6-hydroxyphenyl)propanoic acid
CID 84733802
5-hydroxy-4-methoxy-3-[(1S)-3-oxo-1-phenylbutyl]chromen-2-one
CID 54370756
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
(4S)-4-bromo-4-phenylbutan-2-one
CID 155045363
sodium 4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
CID 54710741
(4R)-4-(2-methyl-1H-indol-3-yl)-4-phenylbutan-2-one
CID 101252963
2-[acetyl(methyl)amino]-2-(2,6-dichlorophenyl)acetic acid
CID 63703488
3-[(1R)-1-(4-chlorophenyl)-3-oxobutyl]-4-hydroxychromen-2-one
CID 54704925
(2R)-2-(2,6-dichlorophenyl)-2-phenylethanamine
CID 125466281
4-phenyl-4-phosphanylbutan-2-one
CID 175348302
4-(3-chloroanilino)-4-phenylbutan-2-one
CID 102258226

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-chloro-6-hydroxyphenyl)-4-phenylbutan-2-one?
The IUPAC name of (4R)-4-(2-chloro-6-hydroxyphenyl)-4-phenylbutan-2-one (CID 122398641) is (4R)-4-(2-chloro-6-hydroxyphenyl)-4-phenylbutan-2-one.
What is the SMILES notation for (4R)-4-(2-chloro-6-hydroxyphenyl)-4-phenylbutan-2-one?
The canonical SMILES for (4R)-4-(2-chloro-6-hydroxyphenyl)-4-phenylbutan-2-one is CC(=O)C[C@H](c1ccccc1)c1c(O)cccc1Cl.
What is the InChIKey of (4R)-4-(2-chloro-6-hydroxyphenyl)-4-phenylbutan-2-one?
The InChIKey is UOWNUUTVFVSWFA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-11(18)10-13(12-6-3-2-4-7-12)16-14(17)8-5-9-15(16)19/h2-9,13,19H,10H2,1H3/t13-/m1/s1.
What are the key properties of (4R)-4-(2-chloro-6-hydroxyphenyl)-4-phenylbutan-2-one?
(4R)-4-(2-chloro-6-hydroxyphenyl)-4-phenylbutan-2-one has a molecular weight of 274.75 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-chloro-6-hydroxyphenyl)-4-phenylbutan-2-one is sourced from PubChem (CID 122398641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).