3-methyl-5-(3-methylbutoxy)phenol

C12H18O2 — CID 103847271

IUPAC3-methyl-5-(3-methylbutoxy)phenol
SMILESCc1cc(O)cc(OCCC(C)C)c1
InChIInChI=1S/C12H18O2/c1-9(2)4-5-14-12-7-10(3)6-11(13)8-12/h6-9,13H,4-5H2,1-3H3
InChIKeyAQUOPEBIRCMRFY-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.13
Rot. Bonds4

About 3-methyl-5-(3-methylbutoxy)phenol

3-methyl-5-(3-methylbutoxy)phenol (PubChem CID 103847271) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-methyl-5-(3-methylbutoxy)phenol.

Molecular Properties

Compound Name3-methyl-5-(3-methylbutoxy)phenol
PubChem CID103847271
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-methyl-5-(3-methylbutoxy)phenol
SMILESCc1cc(O)cc(OCCC(C)C)c1
InChIInChI=1S/C12H18O2/c1-9(2)4-5-14-12-7-10(3)6-11(13)8-12/h6-9,13H,4-5H2,1-3H3
InChIKeyAQUOPEBIRCMRFY-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3-dimethylbutoxy)-5-methylphenol
CID 107679623
3-decoxy-5-methylphenol
CID 107679752
3-(2-methoxypropoxy)-5-methylphenol
CID 107680368
N-[2-(3,5-dimethylphenoxy)ethyl]-4-(3-methylbutoxy)aniline
CID 54799350
3-methyl-5-prop-2-ynoxyphenol
CID 87477485
3-hex-5-ynoxy-5-methylphenol
CID 142382541
3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol
CID 107679911
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428
1,3-dimethyl-5-[2-(2-methylpropoxy)ethoxy]benzene
CID 106458424
1,3-dimethyl-5-(3-methylbutoxy)-2-propan-2-ylsulfanylbenzene
CID 118424857
1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol
CID 112508033
N-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide
CID 107680226

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylbutoxy)phenol?
The IUPAC name of 3-methyl-5-(3-methylbutoxy)phenol (CID 103847271) is 3-methyl-5-(3-methylbutoxy)phenol.
What is the SMILES notation for 3-methyl-5-(3-methylbutoxy)phenol?
The canonical SMILES for 3-methyl-5-(3-methylbutoxy)phenol is Cc1cc(O)cc(OCCC(C)C)c1.
What is the InChIKey of 3-methyl-5-(3-methylbutoxy)phenol?
The InChIKey is AQUOPEBIRCMRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9(2)4-5-14-12-7-10(3)6-11(13)8-12/h6-9,13H,4-5H2,1-3H3.
What are the key properties of 3-methyl-5-(3-methylbutoxy)phenol?
3-methyl-5-(3-methylbutoxy)phenol has a molecular weight of 194.27 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylbutoxy)phenol is sourced from PubChem (CID 103847271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).