4-[(2R)-1-butoxypropan-2-yl]oxyphenol

C13H20O3 — CID 14418920

IUPAC4-[(2R)-1-butoxypropan-2-yl]oxyphenol
SMILESCCCCOC[C@@H](C)Oc1ccc(O)cc1
InChIInChI=1S/C13H20O3/c1-3-4-9-15-10-11(2)16-13-7-5-12(14)6-8-13/h5-8,11,14H,3-4,9-10H2,1-2H3/t11-/m1/s1
InChIKeyRKJXRKGGPJONLH-LLVKDONJSA-N
MW224.30 g/mol
LogP2.98
Rot. Bonds7

About 4-[(2R)-1-butoxypropan-2-yl]oxyphenol

4-[(2R)-1-butoxypropan-2-yl]oxyphenol (PubChem CID 14418920) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-[(2R)-1-butoxypropan-2-yl]oxyphenol.

Molecular Properties

Compound Name4-[(2R)-1-butoxypropan-2-yl]oxyphenol
PubChem CID14418920
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name4-[(2R)-1-butoxypropan-2-yl]oxyphenol
SMILESCCCCOC[C@@H](C)Oc1ccc(O)cc1
InChIInChI=1S/C13H20O3/c1-3-4-9-15-10-11(2)16-13-7-5-12(14)6-8-13/h5-8,11,14H,3-4,9-10H2,1-2H3/t11-/m1/s1
InChIKeyRKJXRKGGPJONLH-LLVKDONJSA-N
XLogP2.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.98
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

1-nonoxypropan-2-yloxybenzene
CID 154296421
1-[(2R)-1-butoxypropan-2-yl]oxy-4-(4-octoxyphenyl)benzene
CID 14418859
4-(4-octan-2-yloxyphenyl)phenol
CID 14419509
4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol
CID 14419511
4-(1-pentoxypropan-2-yl)phenol
CID 18950152
1-pentoxypropan-2-yl 4-hydroxybenzoate
CID 14512064
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol
CID 104564324
4-(3-butoxy-1,1-difluoropropan-2-yl)phenol
CID 67785021
4-(6-methyldecoxy)phenol
CID 14495583
1-butoxypropan-2-yloxymethylbenzene
CID 12963722
4-octan-3-yloxyphenol
CID 54268247
4-[2-[(2S)-2-propoxypropoxy]ethyl]phenol
CID 57154335

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-butoxypropan-2-yl]oxyphenol?
The IUPAC name of 4-[(2R)-1-butoxypropan-2-yl]oxyphenol (CID 14418920) is 4-[(2R)-1-butoxypropan-2-yl]oxyphenol.
What is the SMILES notation for 4-[(2R)-1-butoxypropan-2-yl]oxyphenol?
The canonical SMILES for 4-[(2R)-1-butoxypropan-2-yl]oxyphenol is CCCCOC[C@@H](C)Oc1ccc(O)cc1.
What is the InChIKey of 4-[(2R)-1-butoxypropan-2-yl]oxyphenol?
The InChIKey is RKJXRKGGPJONLH-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20O3/c1-3-4-9-15-10-11(2)16-13-7-5-12(14)6-8-13/h5-8,11,14H,3-4,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-[(2R)-1-butoxypropan-2-yl]oxyphenol?
4-[(2R)-1-butoxypropan-2-yl]oxyphenol has a molecular weight of 224.30 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-butoxypropan-2-yl]oxyphenol is sourced from PubChem (CID 14418920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).