4-butan-2-yl-2-methoxyphenol;methane

C13H24O2 — CID 158403359

IUPAC4-butan-2-yl-2-methoxyphenol;methane
SMILESC.C.CCC(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C11H16O2.2CH4/c1-4-8(2)9-5-6-10(12)11(7-9)13-3;;/h5-8,12H,4H2,1-3H3;2*1H4
InChIKeyGYJJJNRCDASFLA-UHFFFAOYSA-N
MW212.33 g/mol
LogP4.19
Rot. Bonds3

About 4-butan-2-yl-2-methoxyphenol;methane

4-butan-2-yl-2-methoxyphenol;methane (PubChem CID 158403359) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 4-butan-2-yl-2-methoxyphenol;methane.

Molecular Properties

Compound Name4-butan-2-yl-2-methoxyphenol;methane
PubChem CID158403359
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name4-butan-2-yl-2-methoxyphenol;methane
SMILESC.C.CCC(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C11H16O2.2CH4/c1-4-8(2)9-5-6-10(12)11(7-9)13-3;;/h5-8,12H,4H2,1-3H3;2*1H4
InChIKeyGYJJJNRCDASFLA-UHFFFAOYSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hexan-2-yl-2-methoxyphenol
CID 10285881
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol
CID 21123610
1-bromo-4-butan-2-yl-2-methoxybenzene;ethane
CID 166461083
2-methoxy-4-(1-methylsulfanylethyl)phenol
CID 86126303
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207
5-[(2S)-butan-2-yl]-2,3-dimethoxyphenol
CID 163966789
5-butan-2-yl-2,3-dimethoxyphenol
CID 22974622

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-methoxyphenol;methane?
The IUPAC name of 4-butan-2-yl-2-methoxyphenol;methane (CID 158403359) is 4-butan-2-yl-2-methoxyphenol;methane.
What is the SMILES notation for 4-butan-2-yl-2-methoxyphenol;methane?
The canonical SMILES for 4-butan-2-yl-2-methoxyphenol;methane is C.C.CCC(C)c1ccc(O)c(OC)c1.
What is the InChIKey of 4-butan-2-yl-2-methoxyphenol;methane?
The InChIKey is GYJJJNRCDASFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2.2CH4/c1-4-8(2)9-5-6-10(12)11(7-9)13-3;;/h5-8,12H,4H2,1-3H3;2*1H4.
What are the key properties of 4-butan-2-yl-2-methoxyphenol;methane?
4-butan-2-yl-2-methoxyphenol;methane has a molecular weight of 212.33 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-methoxyphenol;methane is sourced from PubChem (CID 158403359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).