[(2S,3S,4S)-4-cyclopropyl-3-phenoxy-4-propoxybutan-2-yl]oxymethylbenzene

C23H30O3 — CID 121458285

IUPAC[(2S,3S,4S)-4-cyclopropyl-3-phenoxy-4-propoxybutan-2-yl]oxymethylbenzene
SMILESCCCO[C@@H](C1CC1)[C@@H](Oc1ccccc1)[C@H](C)OCc1ccccc1
InChIInChI=1S/C23H30O3/c1-3-16-24-23(20-14-15-20)22(26-21-12-8-5-9-13-21)18(2)25-17-19-10-6-4-7-11-19/h4-13,18,20,22-23H,3,14-17H2,1-2H3/t18-,22-,23-/m0/s1
InChIKeyBOLAPGUDSIYUIS-TZYHBYERSA-N
MW354.49 g/mol
LogP5.24
Rot. Bonds11

About [(2S,3S,4S)-4-cyclopropyl-3-phenoxy-4-propoxybutan-2-yl]oxymethylbenzene

[(2S,3S,4S)-4-cyclopropyl-3-phenoxy-4-propoxybutan-2-yl]oxymethylbenzene (PubChem CID 121458285) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is [(2S,3S,4S)-4-cyclopropyl-3-phenoxy-4-propoxybutan-2-yl]oxymethylbenzene.

Molecular Properties

Compound Name[(2S,3S,4S)-4-cyclopropyl-3-phenoxy-4-propoxybutan-2-yl]oxymethylbenzene
PubChem CID121458285
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Name[(2S,3S,4S)-4-cyclopropyl-3-phenoxy-4-propoxybutan-2-yl]oxymethylbenzene
SMILESCCCO[C@@H](C1CC1)[C@@H](Oc1ccccc1)[C@H](C)OCc1ccccc1
InChIInChI=1S/C23H30O3/c1-3-16-24-23(20-14-15-20)22(26-21-12-8-5-9-13-21)18(2)25-17-19-10-6-4-7-11-19/h4-13,18,20,22-23H,3,14-17H2,1-2H3/t18-,22-,23-/m0/s1
InChIKeyBOLAPGUDSIYUIS-TZYHBYERSA-N
XLogP5.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2S,3S,4S)-4-cyclopropyl-3-phenoxy-4-propoxybutan-2-yl]oxymethylbenzene 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

(2S,3S,4S)-3-phenoxy-4-phenylmethoxy-2-propoxypentan-1-ol
CID 121458349
[(1S,2S)-1-cyclopropyl-3-methyl-1-propoxybutan-2-yl]oxybenzene;[(3S,4S)-2-methyl-4-propoxyhex-5-en-3-yl]oxybenzene
CID 158409332
[(1S)-1-cyclopropylethoxy]methylbenzene
CID 144674545
1-propoxyethoxymethylbenzene
CID 141304441
[(E)-3-phenoxyhex-4-en-2-yl]oxymethylbenzene
CID 146540878
[(2R,3S)-3-butoxybutan-2-yl]oxymethylbenzene
CID 57055398
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
2-ethoxyethoxymethylbenzene;[phenyl(propoxy)methyl]benzene;propoxybenzene;propoxymethylbenzene
CID 161112315
1-butoxypropan-2-yloxymethylbenzene
CID 12963722
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
(3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene
CID 90923147

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4S)-4-cyclopropyl-3-phenoxy-4-propoxybutan-2-yl]oxymethylbenzene?
The IUPAC name of [(2S,3S,4S)-4-cyclopropyl-3-phenoxy-4-propoxybutan-2-yl]oxymethylbenzene (CID 121458285) is [(2S,3S,4S)-4-cyclopropyl-3-phenoxy-4-propoxybutan-2-yl]oxymethylbenzene.
What is the SMILES notation for [(2S,3S,4S)-4-cyclopropyl-3-phenoxy-4-propoxybutan-2-yl]oxymethylbenzene?
The canonical SMILES for [(2S,3S,4S)-4-cyclopropyl-3-phenoxy-4-propoxybutan-2-yl]oxymethylbenzene is CCCO[C@@H](C1CC1)[C@@H](Oc1ccccc1)[C@H](C)OCc1ccccc1.
What is the InChIKey of [(2S,3S,4S)-4-cyclopropyl-3-phenoxy-4-propoxybutan-2-yl]oxymethylbenzene?
The InChIKey is BOLAPGUDSIYUIS-TZYHBYERSA-N. The full InChI is InChI=1S/C23H30O3/c1-3-16-24-23(20-14-15-20)22(26-21-12-8-5-9-13-21)18(2)25-17-19-10-6-4-7-11-19/h4-13,18,20,22-23H,3,14-17H2,1-2H3/t18-,22-,23-/m0/s1.
What are the key properties of [(2S,3S,4S)-4-cyclopropyl-3-phenoxy-4-propoxybutan-2-yl]oxymethylbenzene?
[(2S,3S,4S)-4-cyclopropyl-3-phenoxy-4-propoxybutan-2-yl]oxymethylbenzene has a molecular weight of 354.49 g/mol, XLogP of 5.24, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4S)-4-cyclopropyl-3-phenoxy-4-propoxybutan-2-yl]oxymethylbenzene is sourced from PubChem (CID 121458285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).