(2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol

C19H24O4 — CID 162458936

IUPAC(2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol
SMILESOC[C@@H](COCCCOc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H24O4/c20-14-19(23-15-17-8-3-1-4-9-17)16-21-12-7-13-22-18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2/t19-/m0/s1
InChIKeyJDILQUCUQKNCRX-IBGZPJMESA-N
MW316.40 g/mol
LogP3.05
Rot. Bonds11

About (2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol

(2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol (PubChem CID 162458936) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name(2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol
PubChem CID162458936
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name(2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol
SMILESOC[C@@H](COCCCOc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H24O4/c20-14-19(23-15-17-8-3-1-4-9-17)16-21-12-7-13-22-18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2/t19-/m0/s1
InChIKeyJDILQUCUQKNCRX-IBGZPJMESA-N
XLogP3.05
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol 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

3-ethoxy-2-phenylmethoxypropan-1-ol
CID 154048431
2-phenylmethoxy-3-(2,2,4,4-tetramethyl-5-phenoxypentoxy)propan-1-ol
CID 149122103
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407
3-chloro-2-phenylmethoxypropan-1-ol
CID 13356685
2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propan-1-ol
CID 171850384
3-(2-phenylmethoxyoctadecoxy)propan-1-ol
CID 70438045
(2S)-3-phenyl-2-phenylmethoxypropan-1-ol
CID 11831604
2-phenoxy-2-(3-phenoxypropoxy)ethanol
CID 57182517
(2S)-2-phenylmethoxyicosan-1-ol
CID 168831191
[(2S)-3-hexadecoxy-2-phenylmethoxypropyl]phosphane
CID 175546290
1-(16-phenylhexadecoxy)butan-2-yloxymethylbenzene
CID 145255720
3-[butyl(dimethyl)silyl]oxy-2-phenylmethoxypropan-1-ol
CID 70144732

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol?
The IUPAC name of (2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol (CID 162458936) is (2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol.
What is the SMILES notation for (2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol?
The canonical SMILES for (2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol is OC[C@@H](COCCCOc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol?
The InChIKey is JDILQUCUQKNCRX-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24O4/c20-14-19(23-15-17-8-3-1-4-9-17)16-21-12-7-13-22-18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2/t19-/m0/s1.
What are the key properties of (2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol?
(2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol has a molecular weight of 316.40 g/mol, XLogP of 3.05, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol is sourced from PubChem (CID 162458936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).