3-(2-hydroxypropoxy)phenol;2-methylpropane

C13H22O3 — CID 144531306

IUPAC3-(2-hydroxypropoxy)phenol;2-methylpropane
SMILESCC(C)C.CC(O)COc1cccc(O)c1
InChIInChI=1S/C9H12O3.C4H10/c1-7(10)6-12-9-4-2-3-8(11)5-9;1-4(2)3/h2-5,7,10-11H,6H2,1H3;4H,1-3H3
InChIKeyRNDSKTQUXVWGSM-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.81
Rot. Bonds3

About 3-(2-hydroxypropoxy)phenol;2-methylpropane

3-(2-hydroxypropoxy)phenol;2-methylpropane (PubChem CID 144531306) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(2-hydroxypropoxy)phenol;2-methylpropane.

Molecular Properties

Compound Name3-(2-hydroxypropoxy)phenol;2-methylpropane
PubChem CID144531306
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name3-(2-hydroxypropoxy)phenol;2-methylpropane
SMILESCC(C)C.CC(O)COc1cccc(O)c1
InChIInChI=1S/C9H12O3.C4H10/c1-7(10)6-12-9-4-2-3-8(11)5-9;1-4(2)3/h2-5,7,10-11H,6H2,1H3;4H,1-3H3
InChIKeyRNDSKTQUXVWGSM-UHFFFAOYSA-N
XLogP2.81
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoropropoxy)phenol
CID 84653742
3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol
CID 141158658
1-[3-(2-aminoethoxy)phenoxy]propan-2-ol
CID 71018405
ethane;1-phenoxypropan-2-ol
CID 90926921
2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol
CID 117243718
3-(2-hydroxypropoxy)benzonitrile
CID 54593211
(2S)-1-(3-benzylphenoxy)propan-2-ol
CID 121250409
3-[2-(hydroxymethyl)-3,3-dimethylbutoxy]phenol
CID 117242401
1-[3-(diethylamino)phenoxy]propan-2-ol
CID 22760892
3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol
CID 154641760
1-naphthalen-2-yloxypropan-2-ol
CID 2793897
3-(3-fluorobutoxy)phenol
CID 84659596

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropoxy)phenol;2-methylpropane?
The IUPAC name of 3-(2-hydroxypropoxy)phenol;2-methylpropane (CID 144531306) is 3-(2-hydroxypropoxy)phenol;2-methylpropane.
What is the SMILES notation for 3-(2-hydroxypropoxy)phenol;2-methylpropane?
The canonical SMILES for 3-(2-hydroxypropoxy)phenol;2-methylpropane is CC(C)C.CC(O)COc1cccc(O)c1.
What is the InChIKey of 3-(2-hydroxypropoxy)phenol;2-methylpropane?
The InChIKey is RNDSKTQUXVWGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3.C4H10/c1-7(10)6-12-9-4-2-3-8(11)5-9;1-4(2)3/h2-5,7,10-11H,6H2,1H3;4H,1-3H3.
What are the key properties of 3-(2-hydroxypropoxy)phenol;2-methylpropane?
3-(2-hydroxypropoxy)phenol;2-methylpropane has a molecular weight of 226.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropoxy)phenol;2-methylpropane is sourced from PubChem (CID 144531306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).