(2R,3R)-2,3-dihydroxy-1-(3-methoxyphenyl)-6-phenylhexan-1-one

C19H22O4 — CID 11781998

IUPAC(2R,3R)-2,3-dihydroxy-1-(3-methoxyphenyl)-6-phenylhexan-1-one
SMILESCOc1cccc(C(=O)[C@H](O)[C@H](O)CCCc2ccccc2)c1
InChIInChI=1S/C19H22O4/c1-23-16-11-6-10-15(13-16)18(21)19(22)17(20)12-5-9-14-7-3-2-4-8-14/h2-4,6-8,10-11,13,17,19-20,22H,5,9,12H2,1H3/t17-,19-/m1/s1
InChIKeyJBXGHHOCIOESJJ-IEBWSBKVSA-N
MW314.38 g/mol
LogP2.62
Rot. Bonds8

About (2R,3R)-2,3-dihydroxy-1-(3-methoxyphenyl)-6-phenylhexan-1-one

(2R,3R)-2,3-dihydroxy-1-(3-methoxyphenyl)-6-phenylhexan-1-one (PubChem CID 11781998) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxy-1-(3-methoxyphenyl)-6-phenylhexan-1-one.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxy-1-(3-methoxyphenyl)-6-phenylhexan-1-one
PubChem CID11781998
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name(2R,3R)-2,3-dihydroxy-1-(3-methoxyphenyl)-6-phenylhexan-1-one
SMILESCOc1cccc(C(=O)[C@H](O)[C@H](O)CCCc2ccccc2)c1
InChIInChI=1S/C19H22O4/c1-23-16-11-6-10-15(13-16)18(21)19(22)17(20)12-5-9-14-7-3-2-4-8-14/h2-4,6-8,10-11,13,17,19-20,22H,5,9,12H2,1H3/t17-,19-/m1/s1
InChIKeyJBXGHHOCIOESJJ-IEBWSBKVSA-N
XLogP2.62
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-2,3-dihydroxy-1-(3-methoxyphenyl)-6-phenylhexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydroxy-1,5-diphenylpentan-1-one
CID 12776717
(2R,3R)-2-hydroxy-3-methoxy-1-(3-methoxyphenyl)-3-phenylpropan-1-one
CID 122377708
ethyl 2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoate
CID 67187832
[2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoyl] 2-[2-(3-hydroxyphenyl)ethyl]-5-phenylpentanoate
CID 90874976
2-[(3-methoxyphenyl)methoxy]-1-phenylpropan-1-one
CID 62030765
2-benzyl-3-(3-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide
CID 141033411
3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide
CID 112984743
1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol
CID 115791096
(E)-1-(3-methoxyphenyl)-5-phenylpent-2-en-1-one
CID 162676088
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide
CID 125143767
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxy-1-(3-methoxyphenyl)-6-phenylhexan-1-one?
The IUPAC name of (2R,3R)-2,3-dihydroxy-1-(3-methoxyphenyl)-6-phenylhexan-1-one (CID 11781998) is (2R,3R)-2,3-dihydroxy-1-(3-methoxyphenyl)-6-phenylhexan-1-one.
What is the SMILES notation for (2R,3R)-2,3-dihydroxy-1-(3-methoxyphenyl)-6-phenylhexan-1-one?
The canonical SMILES for (2R,3R)-2,3-dihydroxy-1-(3-methoxyphenyl)-6-phenylhexan-1-one is COc1cccc(C(=O)[C@H](O)[C@H](O)CCCc2ccccc2)c1.
What is the InChIKey of (2R,3R)-2,3-dihydroxy-1-(3-methoxyphenyl)-6-phenylhexan-1-one?
The InChIKey is JBXGHHOCIOESJJ-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H22O4/c1-23-16-11-6-10-15(13-16)18(21)19(22)17(20)12-5-9-14-7-3-2-4-8-14/h2-4,6-8,10-11,13,17,19-20,22H,5,9,12H2,1H3/t17-,19-/m1/s1.
What are the key properties of (2R,3R)-2,3-dihydroxy-1-(3-methoxyphenyl)-6-phenylhexan-1-one?
(2R,3R)-2,3-dihydroxy-1-(3-methoxyphenyl)-6-phenylhexan-1-one has a molecular weight of 314.38 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxy-1-(3-methoxyphenyl)-6-phenylhexan-1-one is sourced from PubChem (CID 11781998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).