(4R,5R)-4-methyl-5-phenyl-5-(phenylmethoxymethoxy)pentan-2-one

C20H24O3 — CID 102092481

IUPAC(4R,5R)-4-methyl-5-phenyl-5-(phenylmethoxymethoxy)pentan-2-one
SMILESCC(=O)C[C@@H](C)[C@@H](OCOCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O3/c1-16(13-17(2)21)20(19-11-7-4-8-12-19)23-15-22-14-18-9-5-3-6-10-18/h3-12,16,20H,13-15H2,1-2H3/t16-,20-/m1/s1
InChIKeyGEHJWIDKPFPKCW-OXQOHEQNSA-N
MW312.41 g/mol
LogP4.53
Rot. Bonds9

About (4R,5R)-4-methyl-5-phenyl-5-(phenylmethoxymethoxy)pentan-2-one

(4R,5R)-4-methyl-5-phenyl-5-(phenylmethoxymethoxy)pentan-2-one (PubChem CID 102092481) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is (4R,5R)-4-methyl-5-phenyl-5-(phenylmethoxymethoxy)pentan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-methyl-5-phenyl-5-(phenylmethoxymethoxy)pentan-2-one
PubChem CID102092481
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name(4R,5R)-4-methyl-5-phenyl-5-(phenylmethoxymethoxy)pentan-2-one
SMILESCC(=O)C[C@@H](C)[C@@H](OCOCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O3/c1-16(13-17(2)21)20(19-11-7-4-8-12-19)23-15-22-14-18-9-5-3-6-10-18/h3-12,16,20H,13-15H2,1-2H3/t16-,20-/m1/s1
InChIKeyGEHJWIDKPFPKCW-OXQOHEQNSA-N
XLogP4.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4R,5R)-4-methyl-5-phenyl-5-(phenylmethoxymethoxy)pentan-2-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

tert-butyl (3R,5S,7S,8S)-3,5,7-trimethyl-8-phenyl-8-(phenylmethoxymethoxy)octanoate
CID 101419799
(4S)-4-phenylmethoxypentan-2-one
CID 13214355
(4S)-5-methyl-4-phenylmethoxyheptan-2-one
CID 146230223
(4S,5S)-4-methyl-5-phenylhexan-2-one
CID 102392446
4-hydroxy-4-phenylmethoxybutan-2-one
CID 130149628
acetic acid;phenylmethoxymethylbenzene
CID 175214238
3,5-dimethyl-2-(phenylmethoxymethoxy)hexanoyl fluoride
CID 118069123
(4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one
CID 59906121
(4S,5R)-4-hydroxy-6-methyl-5-phenylmethoxyheptan-2-one
CID 102255359
methane;4-methoxy-5-phenylmethoxypentan-2-one
CID 159731500
(4R)-4-(2-phenylmethoxyethyl)hex-5-en-2-one
CID 134968478
5,5,5-trichloro-4-phenylmethoxypentan-2-one
CID 23726238

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-methyl-5-phenyl-5-(phenylmethoxymethoxy)pentan-2-one?
The IUPAC name of (4R,5R)-4-methyl-5-phenyl-5-(phenylmethoxymethoxy)pentan-2-one (CID 102092481) is (4R,5R)-4-methyl-5-phenyl-5-(phenylmethoxymethoxy)pentan-2-one.
What is the SMILES notation for (4R,5R)-4-methyl-5-phenyl-5-(phenylmethoxymethoxy)pentan-2-one?
The canonical SMILES for (4R,5R)-4-methyl-5-phenyl-5-(phenylmethoxymethoxy)pentan-2-one is CC(=O)C[C@@H](C)[C@@H](OCOCc1ccccc1)c1ccccc1.
What is the InChIKey of (4R,5R)-4-methyl-5-phenyl-5-(phenylmethoxymethoxy)pentan-2-one?
The InChIKey is GEHJWIDKPFPKCW-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H24O3/c1-16(13-17(2)21)20(19-11-7-4-8-12-19)23-15-22-14-18-9-5-3-6-10-18/h3-12,16,20H,13-15H2,1-2H3/t16-,20-/m1/s1.
What are the key properties of (4R,5R)-4-methyl-5-phenyl-5-(phenylmethoxymethoxy)pentan-2-one?
(4R,5R)-4-methyl-5-phenyl-5-(phenylmethoxymethoxy)pentan-2-one has a molecular weight of 312.41 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-methyl-5-phenyl-5-(phenylmethoxymethoxy)pentan-2-one is sourced from PubChem (CID 102092481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).