4-hexan-2-yl-2-methoxyphenol

C13H20O2 — CID 10285881

IUPAC4-hexan-2-yl-2-methoxyphenol
SMILESCCCCC(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C13H20O2/c1-4-5-6-10(2)11-7-8-12(14)13(9-11)15-3/h7-10,14H,4-6H2,1-3H3
InChIKeyIQUGLZSRSANZIX-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.69
Rot. Bonds5

About 4-hexan-2-yl-2-methoxyphenol

4-hexan-2-yl-2-methoxyphenol (PubChem CID 10285881) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-hexan-2-yl-2-methoxyphenol.

Molecular Properties

Compound Name4-hexan-2-yl-2-methoxyphenol
PubChem CID10285881
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-hexan-2-yl-2-methoxyphenol
SMILESCCCCC(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C13H20O2/c1-4-5-6-10(2)11-7-8-12(14)13(9-11)15-3/h7-10,14H,4-6H2,1-3H3
InChIKeyIQUGLZSRSANZIX-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
4-hexan-2-ylbenzene-1,2-diol
CID 14595150
4-(1-hydroxyheptyl)-2-methoxyphenol
CID 14035097
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171308957
2-[butyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetamide
CID 82978340
2-methoxy-4-(1-methylsulfanylethyl)phenol
CID 86126303
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
1-[(2R)-hexan-2-yl]-4-methoxybenzene
CID 134898534
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078

Frequently Asked Questions

What is the IUPAC name of 4-hexan-2-yl-2-methoxyphenol?
The IUPAC name of 4-hexan-2-yl-2-methoxyphenol (CID 10285881) is 4-hexan-2-yl-2-methoxyphenol.
What is the SMILES notation for 4-hexan-2-yl-2-methoxyphenol?
The canonical SMILES for 4-hexan-2-yl-2-methoxyphenol is CCCCC(C)c1ccc(O)c(OC)c1.
What is the InChIKey of 4-hexan-2-yl-2-methoxyphenol?
The InChIKey is IQUGLZSRSANZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-5-6-10(2)11-7-8-12(14)13(9-11)15-3/h7-10,14H,4-6H2,1-3H3.
What are the key properties of 4-hexan-2-yl-2-methoxyphenol?
4-hexan-2-yl-2-methoxyphenol has a molecular weight of 208.30 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexan-2-yl-2-methoxyphenol is sourced from PubChem (CID 10285881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).