(1R,4S)-1-hydroxy-1-phenyl-4-phenylmethoxypentan-3-one

C18H20O3 — CID 10731773

IUPAC(1R,4S)-1-hydroxy-1-phenyl-4-phenylmethoxypentan-3-one
SMILESC[C@H](OCc1ccccc1)C(=O)C[C@@H](O)c1ccccc1
InChIInChI=1S/C18H20O3/c1-14(21-13-15-8-4-2-5-9-15)17(19)12-18(20)16-10-6-3-7-11-16/h2-11,14,18,20H,12-13H2,1H3/t14-,18+/m0/s1
InChIKeyMQPJRHTXACMIDZ-KBXCAEBGSA-N
MW284.36 g/mol
LogP3.28
Rot. Bonds7

About (1R,4S)-1-hydroxy-1-phenyl-4-phenylmethoxypentan-3-one

(1R,4S)-1-hydroxy-1-phenyl-4-phenylmethoxypentan-3-one (PubChem CID 10731773) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (1R,4S)-1-hydroxy-1-phenyl-4-phenylmethoxypentan-3-one.

Molecular Properties

Compound Name(1R,4S)-1-hydroxy-1-phenyl-4-phenylmethoxypentan-3-one
PubChem CID10731773
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(1R,4S)-1-hydroxy-1-phenyl-4-phenylmethoxypentan-3-one
SMILESC[C@H](OCc1ccccc1)C(=O)C[C@@H](O)c1ccccc1
InChIInChI=1S/C18H20O3/c1-14(21-13-15-8-4-2-5-9-15)17(19)12-18(20)16-10-6-3-7-11-16/h2-11,14,18,20H,12-13H2,1H3/t14-,18+/m0/s1
InChIKeyMQPJRHTXACMIDZ-KBXCAEBGSA-N
XLogP3.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzoin ethyl ether
CID 101778
Ethanone, 2-(1-methylethoxy)-1,2-diphenyl-
CID 110912
1,7-Diphenyl-6(E)-Hepten-3-One-5-Ol
CID 44559751
Benzoin isobutyl ether
CID 90794
2,2-Dimethyl-5-phenyloxolan-3-one
CID 568892
(3R)-3-hydroxy-1-[(1R,6Z)-3-oxo-1,4,5,8-tetrahydro-2-benzoxecin-1-yl]hexane-1,5-dione
CID 24963007
(3R)-3-hydroxy-1-[(2R)-4-oxo-3-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-yl]hexane-1,5-dione
CID 42609740
(3R)-3-hydroxy-1-[(2S)-4-oxo-3-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-yl]hexane-1,5-dione
CID 42609741
(3S)-3-hydroxy-1-[(1S,4R,6Z)-4-methyl-3-oxo-1,4,5,8-tetrahydro-2-benzoxecin-1-yl]hexane-1,5-dione
CID 42609772
(3S)-3-hydroxy-1-[(1R,4R,6Z)-4-methyl-3-oxo-1,4,5,8-tetrahydro-2-benzoxecin-1-yl]hexane-1,5-dione
CID 42609773
(3S)-3-hydroxy-1-[(1S,4R)-4-methyl-3-oxo-1,4,5,6,7,8-hexahydro-2-benzoxecin-1-yl]hexane-1,5-dione
CID 42609776
(3S)-1-[(1S,4S)-4-ethyl-3-oxo-1,4,5,6,7,8-hexahydro-2-benzoxecin-1-yl]-3-hydroxyhexane-1,5-dione
CID 42621524

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1-hydroxy-1-phenyl-4-phenylmethoxypentan-3-one?
The IUPAC name of (1R,4S)-1-hydroxy-1-phenyl-4-phenylmethoxypentan-3-one (CID 10731773) is (1R,4S)-1-hydroxy-1-phenyl-4-phenylmethoxypentan-3-one.
What is the SMILES notation for (1R,4S)-1-hydroxy-1-phenyl-4-phenylmethoxypentan-3-one?
The canonical SMILES for (1R,4S)-1-hydroxy-1-phenyl-4-phenylmethoxypentan-3-one is C[C@H](OCc1ccccc1)C(=O)C[C@@H](O)c1ccccc1.
What is the InChIKey of (1R,4S)-1-hydroxy-1-phenyl-4-phenylmethoxypentan-3-one?
The InChIKey is MQPJRHTXACMIDZ-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H20O3/c1-14(21-13-15-8-4-2-5-9-15)17(19)12-18(20)16-10-6-3-7-11-16/h2-11,14,18,20H,12-13H2,1H3/t14-,18+/m0/s1.
What are the key properties of (1R,4S)-1-hydroxy-1-phenyl-4-phenylmethoxypentan-3-one?
(1R,4S)-1-hydroxy-1-phenyl-4-phenylmethoxypentan-3-one has a molecular weight of 284.36 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1-hydroxy-1-phenyl-4-phenylmethoxypentan-3-one is sourced from PubChem (CID 10731773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).