[5-methyl-2-(2-methylbutoxy)phenyl]methanol

C13H20O2 — CID 63325195

IUPAC[5-methyl-2-(2-methylbutoxy)phenyl]methanol
SMILESCCC(C)COc1ccc(C)cc1CO
InChIInChI=1S/C13H20O2/c1-4-10(2)9-15-13-6-5-11(3)7-12(13)8-14/h5-7,10,14H,4,8-9H2,1-3H3
InChIKeyUOJXMHQXXKNDEC-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.91
Rot. Bonds5

About [5-methyl-2-(2-methylbutoxy)phenyl]methanol

[5-methyl-2-(2-methylbutoxy)phenyl]methanol (PubChem CID 63325195) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is [5-methyl-2-(2-methylbutoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-methyl-2-(2-methylbutoxy)phenyl]methanol
PubChem CID63325195
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name[5-methyl-2-(2-methylbutoxy)phenyl]methanol
SMILESCCC(C)COc1ccc(C)cc1CO
InChIInChI=1S/C13H20O2/c1-4-10(2)9-15-13-6-5-11(3)7-12(13)8-14/h5-7,10,14H,4,8-9H2,1-3H3
InChIKeyUOJXMHQXXKNDEC-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-methyl-2-(2-methylprop-2-enoxy)phenyl]methanol
CID 63325367
N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine
CID 62103815
5-methyl-2-(2-methylbutoxy)benzenesulfonyl chloride
CID 78986414
1-[2-(aminomethyl)-4-methylphenoxy]butan-2-ol
CID 63322818
2-[5-methyl-2-(2-methylpropoxy)phenyl]acetic acid
CID 39103888
3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol
CID 82075966
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 55206471
1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol
CID 107698659
N-[[2-(2-ethylbutoxy)-5-methylphenyl]methyl]-2-methylpropan-2-amine
CID 82925961
2',7'-dimethyl-2,3,6,7-tetrakis(2-methylbutoxy)-9,9'-spirobi[fluorene]
CID 58544758
[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol
CID 79173873
[3-ethoxy-2-(2-methylbutoxy)phenyl]methanol
CID 62103842

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(2-methylbutoxy)phenyl]methanol?
The IUPAC name of [5-methyl-2-(2-methylbutoxy)phenyl]methanol (CID 63325195) is [5-methyl-2-(2-methylbutoxy)phenyl]methanol.
What is the SMILES notation for [5-methyl-2-(2-methylbutoxy)phenyl]methanol?
The canonical SMILES for [5-methyl-2-(2-methylbutoxy)phenyl]methanol is CCC(C)COc1ccc(C)cc1CO.
What is the InChIKey of [5-methyl-2-(2-methylbutoxy)phenyl]methanol?
The InChIKey is UOJXMHQXXKNDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-10(2)9-15-13-6-5-11(3)7-12(13)8-14/h5-7,10,14H,4,8-9H2,1-3H3.
What are the key properties of [5-methyl-2-(2-methylbutoxy)phenyl]methanol?
[5-methyl-2-(2-methylbutoxy)phenyl]methanol has a molecular weight of 208.30 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(2-methylbutoxy)phenyl]methanol is sourced from PubChem (CID 63325195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).