3-[2-(hydroxymethyl)-6-methylphenoxy]butan-2-ol

C12H18O3 — CID 112612422

IUPAC3-[2-(hydroxymethyl)-6-methylphenoxy]butan-2-ol
SMILESCc1cccc(CO)c1OC(C)C(C)O
InChIInChI=1S/C12H18O3/c1-8-5-4-6-11(7-13)12(8)15-10(3)9(2)14/h4-6,9-10,13-14H,7H2,1-3H3
InChIKeyUGLPETQDKHPGQG-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.64
Rot. Bonds4

About 3-[2-(hydroxymethyl)-6-methylphenoxy]butan-2-ol

3-[2-(hydroxymethyl)-6-methylphenoxy]butan-2-ol (PubChem CID 112612422) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)-6-methylphenoxy]butan-2-ol.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)-6-methylphenoxy]butan-2-ol
PubChem CID112612422
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3-[2-(hydroxymethyl)-6-methylphenoxy]butan-2-ol
SMILESCc1cccc(CO)c1OC(C)C(C)O
InChIInChI=1S/C12H18O3/c1-8-5-4-6-11(7-13)12(8)15-10(3)9(2)14/h4-6,9-10,13-14H,7H2,1-3H3
InChIKeyUGLPETQDKHPGQG-UHFFFAOYSA-N
XLogP1.64
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide
CID 112612370
N-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide
CID 112612470
1,1,1-trifluoro-3-[2-(hydroxymethyl)-6-methylphenoxy]propan-2-ol
CID 112612406
3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol
CID 112612371
[2-[(2R)-2-aminopropoxy]-3-methylphenyl]methanol;oxalic acid
CID 171380777
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 112612258
1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol
CID 130041488
3-(2,6-difluorophenoxy)butan-2-ol
CID 81269905
2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide
CID 112612351
(2-decoxy-3-methylphenyl)methanol
CID 115956202
[2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol
CID 112612503
ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate
CID 112613216

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)-6-methylphenoxy]butan-2-ol?
The IUPAC name of 3-[2-(hydroxymethyl)-6-methylphenoxy]butan-2-ol (CID 112612422) is 3-[2-(hydroxymethyl)-6-methylphenoxy]butan-2-ol.
What is the SMILES notation for 3-[2-(hydroxymethyl)-6-methylphenoxy]butan-2-ol?
The canonical SMILES for 3-[2-(hydroxymethyl)-6-methylphenoxy]butan-2-ol is Cc1cccc(CO)c1OC(C)C(C)O.
What is the InChIKey of 3-[2-(hydroxymethyl)-6-methylphenoxy]butan-2-ol?
The InChIKey is UGLPETQDKHPGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-8-5-4-6-11(7-13)12(8)15-10(3)9(2)14/h4-6,9-10,13-14H,7H2,1-3H3.
What are the key properties of 3-[2-(hydroxymethyl)-6-methylphenoxy]butan-2-ol?
3-[2-(hydroxymethyl)-6-methylphenoxy]butan-2-ol has a molecular weight of 210.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)-6-methylphenoxy]butan-2-ol is sourced from PubChem (CID 112612422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).