(4R,6R,7R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-7-phenylmethoxyoctan-2-one

C23H30O5 — CID 139249750

IUPAC(4R,6R,7R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-7-phenylmethoxyoctan-2-one
SMILESCOc1ccc(CO[C@H](C[C@@H](O)CC(C)=O)[C@@H](C)OCc2ccccc2)cc1
InChIInChI=1S/C23H30O5/c1-17(24)13-21(25)14-23(18(2)27-15-19-7-5-4-6-8-19)28-16-20-9-11-22(26-3)12-10-20/h4-12,18,21,23,25H,13-16H2,1-3H3/t18-,21+,23-/m1/s1
InChIKeyYBSSFRGVLSNVAS-RZFNWQHOSA-N
MW386.49 g/mol
LogP3.92
Rot. Bonds12

About (4R,6R,7R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-7-phenylmethoxyoctan-2-one

(4R,6R,7R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-7-phenylmethoxyoctan-2-one (PubChem CID 139249750) has the molecular formula C23H30O5 and a molecular weight of 386.49 g/mol. Its IUPAC name is (4R,6R,7R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-7-phenylmethoxyoctan-2-one.

Molecular Properties

Compound Name(4R,6R,7R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-7-phenylmethoxyoctan-2-one
PubChem CID139249750
Molecular FormulaC23H30O5
Molecular Weight386.49 g/mol
Exact Mass386.21
IUPAC Name(4R,6R,7R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-7-phenylmethoxyoctan-2-one
SMILESCOc1ccc(CO[C@H](C[C@@H](O)CC(C)=O)[C@@H](C)OCc2ccccc2)cc1
InChIInChI=1S/C23H30O5/c1-17(24)13-21(25)14-23(18(2)27-15-19-7-5-4-6-8-19)28-16-20-9-11-22(26-3)12-10-20/h4-12,18,21,23,25H,13-16H2,1-3H3/t18-,21+,23-/m1/s1
InChIKeyYBSSFRGVLSNVAS-RZFNWQHOSA-N
XLogP3.92
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R,6R,7R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-7-phenylmethoxyoctan-2-one with MolForge

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Related Compounds

(E,9R,11R,12R)-9-hydroxy-1,11-bis[(4-methoxyphenyl)methoxy]-4,4-dimethyl-12-phenylmethoxytridec-2-ene-5,7-dione
CID 11192974
(2S,3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-ol
CID 121462720
(4S,5R)-4-hydroxy-6-phenyl-5-phenylmethoxyhexan-2-one
CID 102255355
(4S)-5-methyl-4-phenylmethoxyheptan-2-one
CID 146230223
tert-butyl (3R,5S)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-6-phenylmethoxyhexanoate
CID 141144688
(4S)-4-phenylmethoxypentan-2-one
CID 13214355
4-hydroxy-4-phenylmethoxybutan-2-one
CID 130149628
(4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxyhexanamide
CID 135020165
(3R,7S)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methyl-1-phenylnonan-2-one
CID 101412939
(3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one
CID 11255470
(E,9R,12R)-9-[tert-butyl(dimethyl)silyl]oxy-1,11-bis[(4-methoxyphenyl)methoxy]-4,4-dimethyl-12-phenylmethoxytridec-2-ene-5,7-dione
CID 71154073
(3S,4R,5S)-4-benzyl-5-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 118194675

Frequently Asked Questions

What is the IUPAC name of (4R,6R,7R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-7-phenylmethoxyoctan-2-one?
The IUPAC name of (4R,6R,7R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-7-phenylmethoxyoctan-2-one (CID 139249750) is (4R,6R,7R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-7-phenylmethoxyoctan-2-one.
What is the SMILES notation for (4R,6R,7R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-7-phenylmethoxyoctan-2-one?
The canonical SMILES for (4R,6R,7R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-7-phenylmethoxyoctan-2-one is COc1ccc(CO[C@H](C[C@@H](O)CC(C)=O)[C@@H](C)OCc2ccccc2)cc1.
What is the InChIKey of (4R,6R,7R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-7-phenylmethoxyoctan-2-one?
The InChIKey is YBSSFRGVLSNVAS-RZFNWQHOSA-N. The full InChI is InChI=1S/C23H30O5/c1-17(24)13-21(25)14-23(18(2)27-15-19-7-5-4-6-8-19)28-16-20-9-11-22(26-3)12-10-20/h4-12,18,21,23,25H,13-16H2,1-3H3/t18-,21+,23-/m1/s1.
What are the key properties of (4R,6R,7R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-7-phenylmethoxyoctan-2-one?
(4R,6R,7R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-7-phenylmethoxyoctan-2-one has a molecular weight of 386.49 g/mol, XLogP of 3.92, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R,7R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-7-phenylmethoxyoctan-2-one is sourced from PubChem (CID 139249750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).