(4S,5R)-4-hydroxy-6-phenyl-5-phenylmethoxyhexan-2-one

C19H22O3 — CID 102255355

IUPAC(4S,5R)-4-hydroxy-6-phenyl-5-phenylmethoxyhexan-2-one
SMILESCC(=O)C[C@H](O)[C@@H](Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H22O3/c1-15(20)12-18(21)19(13-16-8-4-2-5-9-16)22-14-17-10-6-3-7-11-17/h2-11,18-19,21H,12-14H2,1H3/t18-,19+/m0/s1
InChIKeyDNDVHULGDFAJAS-RBUKOAKNSA-N
MW298.38 g/mol
LogP3.15
Rot. Bonds8

About (4S,5R)-4-hydroxy-6-phenyl-5-phenylmethoxyhexan-2-one

(4S,5R)-4-hydroxy-6-phenyl-5-phenylmethoxyhexan-2-one (PubChem CID 102255355) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is (4S,5R)-4-hydroxy-6-phenyl-5-phenylmethoxyhexan-2-one.

Molecular Properties

Compound Name(4S,5R)-4-hydroxy-6-phenyl-5-phenylmethoxyhexan-2-one
PubChem CID102255355
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name(4S,5R)-4-hydroxy-6-phenyl-5-phenylmethoxyhexan-2-one
SMILESCC(=O)C[C@H](O)[C@@H](Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H22O3/c1-15(20)12-18(21)19(13-16-8-4-2-5-9-16)22-14-17-10-6-3-7-11-17/h2-11,18-19,21H,12-14H2,1H3/t18-,19+/m0/s1
InChIKeyDNDVHULGDFAJAS-RBUKOAKNSA-N
XLogP3.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-4-phenylmethoxybutan-2-one
CID 130149628
(4S,5R)-4-hydroxy-6-methyl-5-phenylmethoxyheptan-2-one
CID 102255359
(4S)-5-methyl-4-phenylmethoxyheptan-2-one
CID 146230223
3-hydroxy-4-phenylmethoxyhexanoic acid
CID 70028361
(4S)-4-phenylmethoxypentan-2-one
CID 13214355
5,5,5-trichloro-4-phenylmethoxypentan-2-one
CID 23726238
(4R,6R,7R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-7-phenylmethoxyoctan-2-one
CID 139249750
(2S,3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-ol
CID 121462720
(2R,3S)-2-hydroxy-4-phenyl-3-phenylmethoxybutanenitrile
CID 100997655
(3S,4S,5S)-5-hydroxy-1-phenyl-3,4-bis(phenylmethoxy)hexan-1-one
CID 10024186
3-benzylhexane-2,5-dione
CID 58379257
(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
CID 10921802

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-hydroxy-6-phenyl-5-phenylmethoxyhexan-2-one?
The IUPAC name of (4S,5R)-4-hydroxy-6-phenyl-5-phenylmethoxyhexan-2-one (CID 102255355) is (4S,5R)-4-hydroxy-6-phenyl-5-phenylmethoxyhexan-2-one.
What is the SMILES notation for (4S,5R)-4-hydroxy-6-phenyl-5-phenylmethoxyhexan-2-one?
The canonical SMILES for (4S,5R)-4-hydroxy-6-phenyl-5-phenylmethoxyhexan-2-one is CC(=O)C[C@H](O)[C@@H](Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of (4S,5R)-4-hydroxy-6-phenyl-5-phenylmethoxyhexan-2-one?
The InChIKey is DNDVHULGDFAJAS-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H22O3/c1-15(20)12-18(21)19(13-16-8-4-2-5-9-16)22-14-17-10-6-3-7-11-17/h2-11,18-19,21H,12-14H2,1H3/t18-,19+/m0/s1.
What are the key properties of (4S,5R)-4-hydroxy-6-phenyl-5-phenylmethoxyhexan-2-one?
(4S,5R)-4-hydroxy-6-phenyl-5-phenylmethoxyhexan-2-one has a molecular weight of 298.38 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-hydroxy-6-phenyl-5-phenylmethoxyhexan-2-one is sourced from PubChem (CID 102255355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).