3-methylbutan-1-ol;phenoxybenzene

C17H22O2 — CID 175265119

IUPAC3-methylbutan-1-ol;phenoxybenzene
SMILESCC(C)CCO.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C5H12O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(2)3-4-6/h1-10H;5-6H,3-4H2,1-2H3
InChIKeyOLTQXYHQMCWIDU-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.50
Rot. Bonds4

About 3-methylbutan-1-ol;phenoxybenzene

3-methylbutan-1-ol;phenoxybenzene (PubChem CID 175265119) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-methylbutan-1-ol;phenoxybenzene.

Molecular Properties

Compound Name3-methylbutan-1-ol;phenoxybenzene
PubChem CID175265119
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name3-methylbutan-1-ol;phenoxybenzene
SMILESCC(C)CCO.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C5H12O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(2)3-4-6/h1-10H;5-6H,3-4H2,1-2H3
InChIKeyOLTQXYHQMCWIDU-UHFFFAOYSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane-1,2-diol;methanol;phenoxybenzene
CID 174609290
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3-methylbutan-1-ol;phenol;ytterbium
CID 139987500
2-methylpropylalumane;phenoxybenzene
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1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
ethane-1,2-diol;ethoxyethane;phenoxybenzene;propane-1,2-diol
CID 68791308
potassium;hydride;phenoxybenzene
CID 173391576
ethane-1,2-diol;phenoxybenzene;phosphoric acid
CID 175293363
1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene
CID 21117107
ethane;phenoxybenzene;propane
CID 90923491
3-methoxy-3-phenoxypropan-1-ol
CID 119087893
(1R,2S)-1-amino-5-methyl-1-(3-phenoxyphenyl)hexan-2-ol
CID 171261271

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-1-ol;phenoxybenzene?
The IUPAC name of 3-methylbutan-1-ol;phenoxybenzene (CID 175265119) is 3-methylbutan-1-ol;phenoxybenzene.
What is the SMILES notation for 3-methylbutan-1-ol;phenoxybenzene?
The canonical SMILES for 3-methylbutan-1-ol;phenoxybenzene is CC(C)CCO.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-methylbutan-1-ol;phenoxybenzene?
The InChIKey is OLTQXYHQMCWIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C5H12O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(2)3-4-6/h1-10H;5-6H,3-4H2,1-2H3.
What are the key properties of 3-methylbutan-1-ol;phenoxybenzene?
3-methylbutan-1-ol;phenoxybenzene has a molecular weight of 258.36 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-1-ol;phenoxybenzene is sourced from PubChem (CID 175265119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).