(3R,7S)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methyl-1-phenylnonan-2-one

C24H32O4 — CID 101412939

IUPAC(3R,7S)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methyl-1-phenylnonan-2-one
SMILESCOc1ccc(CO[C@@H](CCC[C@@H](O)C(=O)Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C24H32O4/c1-18(2)24(28-17-20-12-14-21(27-3)15-13-20)11-7-10-22(25)23(26)16-19-8-5-4-6-9-19/h4-6,8-9,12-15,18,22,24-25H,7,10-11,16-17H2,1-3H3/t22-,24+/m1/s1
InChIKeyRNXDSTUFORMONP-VWNXMTODSA-N
MW384.52 g/mol
LogP4.58
Rot. Bonds12

About (3R,7S)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methyl-1-phenylnonan-2-one

(3R,7S)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methyl-1-phenylnonan-2-one (PubChem CID 101412939) has the molecular formula C24H32O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is (3R,7S)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methyl-1-phenylnonan-2-one.

Molecular Properties

Compound Name(3R,7S)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methyl-1-phenylnonan-2-one
PubChem CID101412939
Molecular FormulaC24H32O4
Molecular Weight384.52 g/mol
Exact Mass384.23
IUPAC Name(3R,7S)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methyl-1-phenylnonan-2-one
SMILESCOc1ccc(CO[C@@H](CCC[C@@H](O)C(=O)Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C24H32O4/c1-18(2)24(28-17-20-12-14-21(27-3)15-13-20)11-7-10-22(25)23(26)16-19-8-5-4-6-9-19/h4-6,8-9,12-15,18,22,24-25H,7,10-11,16-17H2,1-3H3/t22-,24+/m1/s1
InChIKeyRNXDSTUFORMONP-VWNXMTODSA-N
XLogP4.58
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,7S)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methyl-1-phenylnonan-2-one with MolForge

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Related Compounds

(2S,3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-ol
CID 121462720
(4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxyhexanamide
CID 135020165
(4R,6R,7R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-7-phenylmethoxyoctan-2-one
CID 139249750
(4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxytridecanamide
CID 102479875
1-[[(2S)-1-iodo-3-methylbutan-2-yl]oxymethyl]-4-methoxybenzene
CID 101441058
(3R,4R,5S,6R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethyl-10-phenylmethoxydec-1-en-4-ol
CID 101054913
ethyl (4S,5R)-5-[(4-methoxyphenyl)methoxy]-3-oxo-7-phenyl-4-phenylmethoxyheptanoate
CID 23643610
2-hydroxy-5-(4-methoxyphenyl)pentanoic acid
CID 23157957
1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate
CID 86053966
1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
CID 10985612
(3S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenylmethoxybutan-2-one
CID 10860440
(3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one
CID 11255470

Frequently Asked Questions

What is the IUPAC name of (3R,7S)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methyl-1-phenylnonan-2-one?
The IUPAC name of (3R,7S)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methyl-1-phenylnonan-2-one (CID 101412939) is (3R,7S)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methyl-1-phenylnonan-2-one.
What is the SMILES notation for (3R,7S)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methyl-1-phenylnonan-2-one?
The canonical SMILES for (3R,7S)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methyl-1-phenylnonan-2-one is COc1ccc(CO[C@@H](CCC[C@@H](O)C(=O)Cc2ccccc2)C(C)C)cc1.
What is the InChIKey of (3R,7S)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methyl-1-phenylnonan-2-one?
The InChIKey is RNXDSTUFORMONP-VWNXMTODSA-N. The full InChI is InChI=1S/C24H32O4/c1-18(2)24(28-17-20-12-14-21(27-3)15-13-20)11-7-10-22(25)23(26)16-19-8-5-4-6-9-19/h4-6,8-9,12-15,18,22,24-25H,7,10-11,16-17H2,1-3H3/t22-,24+/m1/s1.
What are the key properties of (3R,7S)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methyl-1-phenylnonan-2-one?
(3R,7S)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methyl-1-phenylnonan-2-one has a molecular weight of 384.52 g/mol, XLogP of 4.58, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7S)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methyl-1-phenylnonan-2-one is sourced from PubChem (CID 101412939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).