1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol

C13H20O3 — CID 78930642

IUPAC1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol
SMILESCC[C@@H](O)c1ccccc1OCC(C)(C)O
InChIInChI=1S/C13H20O3/c1-4-11(14)10-7-5-6-8-12(10)16-9-13(2,3)15/h5-8,11,14-15H,4,9H2,1-3H3/t11-/m1/s1
InChIKeyNNYXFTFVQSUPCP-LLVKDONJSA-N
MW224.30 g/mol
LogP2.28
Rot. Bonds5

About 1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol

1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol (PubChem CID 78930642) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol
PubChem CID78930642
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol
SMILESCC[C@@H](O)c1ccccc1OCC(C)(C)O
InChIInChI=1S/C13H20O3/c1-4-11(14)10-7-5-6-8-12(10)16-9-13(2,3)15/h5-8,11,14-15H,4,9H2,1-3H3/t11-/m1/s1
InChIKeyNNYXFTFVQSUPCP-LLVKDONJSA-N
XLogP2.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-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

1-[2-(1-hydroxypropyl)phenoxy]-2-phenylpropan-2-ol
CID 62374016
(1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
CID 63365266
1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol
CID 78931116
3-[2-(1-hydroxypropyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79624419
2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503607
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
(1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol
CID 78996550
(1S)-1-(2-heptoxyphenyl)propan-1-ol
CID 78944609
(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
(1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol
CID 63365133
ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate
CID 43503550

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol (CID 78930642) is 1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol is CC[C@@H](O)c1ccccc1OCC(C)(C)O.
What is the InChIKey of 1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol?
The InChIKey is NNYXFTFVQSUPCP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20O3/c1-4-11(14)10-7-5-6-8-12(10)16-9-13(2,3)15/h5-8,11,14-15H,4,9H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol?
1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 78930642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).