(2R)-1-(3-phenoxypropoxy)butan-2-ol

C13H20O3 — CID 158011713

IUPAC(2R)-1-(3-phenoxypropoxy)butan-2-ol
SMILESCC[C@@H](O)COCCCOc1ccccc1
InChIInChI=1S/C13H20O3/c1-2-12(14)11-15-9-6-10-16-13-7-4-3-5-8-13/h3-5,7-8,12,14H,2,6,9-11H2,1H3/t12-/m1/s1
InChIKeyNZQLRPQDEHTMAE-GFCCVEGCSA-N
MW224.30 g/mol
LogP2.24
Rot. Bonds8

About (2R)-1-(3-phenoxypropoxy)butan-2-ol

(2R)-1-(3-phenoxypropoxy)butan-2-ol (PubChem CID 158011713) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (2R)-1-(3-phenoxypropoxy)butan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-phenoxypropoxy)butan-2-ol
PubChem CID158011713
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(2R)-1-(3-phenoxypropoxy)butan-2-ol
SMILESCC[C@@H](O)COCCCOc1ccccc1
InChIInChI=1S/C13H20O3/c1-2-12(14)11-15-9-6-10-16-13-7-4-3-5-8-13/h3-5,7-8,12,14H,2,6,9-11H2,1H3/t12-/m1/s1
InChIKeyNZQLRPQDEHTMAE-GFCCVEGCSA-N
XLogP2.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
1-[methyl(3-phenoxypropyl)amino]butan-2-ol
CID 142108769
[2-hydroxy-3-[4-(2-hydroxy-3-methoxypropoxy)butoxy]propyl]-dimethyl-(2-phenoxyethyl)azanium
CID 155656961
1-phenoxy-4-(3-propoxypropoxy)benzene
CID 14353104
1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol
CID 70425205
(2R)-1-butoxybutan-2-ol
CID 27255938
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol
CID 106989841
(3R)-1-phenoxyhexan-3-ol
CID 102063151
1,5-diphenoxypentan-3-ol
CID 5314309
4-methyl-7-phenoxyheptan-3-ol
CID 63562397

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-phenoxypropoxy)butan-2-ol?
The IUPAC name of (2R)-1-(3-phenoxypropoxy)butan-2-ol (CID 158011713) is (2R)-1-(3-phenoxypropoxy)butan-2-ol.
What is the SMILES notation for (2R)-1-(3-phenoxypropoxy)butan-2-ol?
The canonical SMILES for (2R)-1-(3-phenoxypropoxy)butan-2-ol is CC[C@@H](O)COCCCOc1ccccc1.
What is the InChIKey of (2R)-1-(3-phenoxypropoxy)butan-2-ol?
The InChIKey is NZQLRPQDEHTMAE-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20O3/c1-2-12(14)11-15-9-6-10-16-13-7-4-3-5-8-13/h3-5,7-8,12,14H,2,6,9-11H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-1-(3-phenoxypropoxy)butan-2-ol?
(2R)-1-(3-phenoxypropoxy)butan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-phenoxypropoxy)butan-2-ol is sourced from PubChem (CID 158011713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).