1-[2-(2-methylpropoxy)phenyl]propan-2-ol

C13H20O2 — CID 82161419

IUPAC1-[2-(2-methylpropoxy)phenyl]propan-2-ol
SMILESCC(C)COc1ccccc1CC(C)O
InChIInChI=1S/C13H20O2/c1-10(2)9-15-13-7-5-4-6-12(13)8-11(3)14/h4-7,10-11,14H,8-9H2,1-3H3
InChIKeyYOOLFBIGPFCDPA-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.64
Rot. Bonds5

About 1-[2-(2-methylpropoxy)phenyl]propan-2-ol

1-[2-(2-methylpropoxy)phenyl]propan-2-ol (PubChem CID 82161419) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[2-(2-methylpropoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(2-methylpropoxy)phenyl]propan-2-ol
PubChem CID82161419
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-[2-(2-methylpropoxy)phenyl]propan-2-ol
SMILESCC(C)COc1ccccc1CC(C)O
InChIInChI=1S/C13H20O2/c1-10(2)9-15-13-7-5-4-6-12(13)8-11(3)14/h4-7,10-11,14H,8-9H2,1-3H3
InChIKeyYOOLFBIGPFCDPA-UHFFFAOYSA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(hydroxymethoxy)phenyl]propan-2-ol
CID 141136769
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
1-[2-(2-methylbutyl)phenoxy]propan-2-ol
CID 59277976
3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine
CID 82160440
1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene
CID 141096920
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731
3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 82161462
2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine
CID 110917976
4-[2-(2-methylpropoxy)phenyl]butan-1-amine
CID 83932463
1,1-diethyl-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
CID 60562621
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
1,3-diethyl-2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine
CID 110926575

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropoxy)phenyl]propan-2-ol?
The IUPAC name of 1-[2-(2-methylpropoxy)phenyl]propan-2-ol (CID 82161419) is 1-[2-(2-methylpropoxy)phenyl]propan-2-ol.
What is the SMILES notation for 1-[2-(2-methylpropoxy)phenyl]propan-2-ol?
The canonical SMILES for 1-[2-(2-methylpropoxy)phenyl]propan-2-ol is CC(C)COc1ccccc1CC(C)O.
What is the InChIKey of 1-[2-(2-methylpropoxy)phenyl]propan-2-ol?
The InChIKey is YOOLFBIGPFCDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10(2)9-15-13-7-5-4-6-12(13)8-11(3)14/h4-7,10-11,14H,8-9H2,1-3H3.
What are the key properties of 1-[2-(2-methylpropoxy)phenyl]propan-2-ol?
1-[2-(2-methylpropoxy)phenyl]propan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropoxy)phenyl]propan-2-ol is sourced from PubChem (CID 82161419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).