(5R)-5,7-dimethyl-8-(4-phenylphenyl)octan-4-one

C22H28O — CID 145158250

IUPAC(5R)-5,7-dimethyl-8-(4-phenylphenyl)octan-4-one
SMILESCCCC(=O)[C@H](C)CC(C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H28O/c1-4-8-22(23)18(3)15-17(2)16-19-11-13-21(14-12-19)20-9-6-5-7-10-20/h5-7,9-14,17-18H,4,8,15-16H2,1-3H3/t17?,18-/m1/s1
InChIKeyKAIUKQKOTDUKKT-QRWMCTBCSA-N
MW308.46 g/mol
LogP5.93
Rot. Bonds8

About (5R)-5,7-dimethyl-8-(4-phenylphenyl)octan-4-one

(5R)-5,7-dimethyl-8-(4-phenylphenyl)octan-4-one (PubChem CID 145158250) has the molecular formula C22H28O and a molecular weight of 308.46 g/mol. Its IUPAC name is (5R)-5,7-dimethyl-8-(4-phenylphenyl)octan-4-one.

Molecular Properties

Compound Name(5R)-5,7-dimethyl-8-(4-phenylphenyl)octan-4-one
PubChem CID145158250
Molecular FormulaC22H28O
Molecular Weight308.46 g/mol
Exact Mass308.21
IUPAC Name(5R)-5,7-dimethyl-8-(4-phenylphenyl)octan-4-one
SMILESCCCC(=O)[C@H](C)CC(C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H28O/c1-4-8-22(23)18(3)15-17(2)16-19-11-13-21(14-12-19)20-9-6-5-7-10-20/h5-7,9-14,17-18H,4,8,15-16H2,1-3H3/t17?,18-/m1/s1
InChIKeyKAIUKQKOTDUKKT-QRWMCTBCSA-N
XLogP5.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.46
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(7S)-7-amino-5-(ethoxymethyl)-8-(4-phenylphenyl)octan-4-one
CID 149424437
ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate
CID 11722991
ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride
CID 127255946
2-chloro-1-(4-phenylphenyl)decan-3-one
CID 173369768
3-methyl-2-[(4-phenylphenyl)methyl]butanoic acid
CID 116930683
(2R)-1-(4-phenylphenyl)propan-2-ol
CID 92983269
diethyl 2-(2-methyl-3-phenylpropyl)propanedioate
CID 174407288
2-ethoxycarbonyl-4-methyl-5-phenylpentanoic acid
CID 174946151
3-bromo-4-(4-phenylphenyl)butan-2-one
CID 62393399
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
(2R)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanoic acid
CID 142061345
(2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid
CID 122454136

Frequently Asked Questions

What is the IUPAC name of (5R)-5,7-dimethyl-8-(4-phenylphenyl)octan-4-one?
The IUPAC name of (5R)-5,7-dimethyl-8-(4-phenylphenyl)octan-4-one (CID 145158250) is (5R)-5,7-dimethyl-8-(4-phenylphenyl)octan-4-one.
What is the SMILES notation for (5R)-5,7-dimethyl-8-(4-phenylphenyl)octan-4-one?
The canonical SMILES for (5R)-5,7-dimethyl-8-(4-phenylphenyl)octan-4-one is CCCC(=O)[C@H](C)CC(C)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (5R)-5,7-dimethyl-8-(4-phenylphenyl)octan-4-one?
The InChIKey is KAIUKQKOTDUKKT-QRWMCTBCSA-N. The full InChI is InChI=1S/C22H28O/c1-4-8-22(23)18(3)15-17(2)16-19-11-13-21(14-12-19)20-9-6-5-7-10-20/h5-7,9-14,17-18H,4,8,15-16H2,1-3H3/t17?,18-/m1/s1.
What are the key properties of (5R)-5,7-dimethyl-8-(4-phenylphenyl)octan-4-one?
(5R)-5,7-dimethyl-8-(4-phenylphenyl)octan-4-one has a molecular weight of 308.46 g/mol, XLogP of 5.93, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5,7-dimethyl-8-(4-phenylphenyl)octan-4-one is sourced from PubChem (CID 145158250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).