3-methoxy-4-(2-methylpentan-3-yl)phenol

C13H20O2 — CID 138474413

IUPAC3-methoxy-4-(2-methylpentan-3-yl)phenol
SMILESCCC(c1ccc(O)cc1OC)C(C)C
InChIInChI=1S/C13H20O2/c1-5-11(9(2)3)12-7-6-10(14)8-13(12)15-4/h6-9,11,14H,5H2,1-4H3
InChIKeyXFADLLUMYMLHBD-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.55
Rot. Bonds4

About 3-methoxy-4-(2-methylpentan-3-yl)phenol

3-methoxy-4-(2-methylpentan-3-yl)phenol (PubChem CID 138474413) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-methoxy-4-(2-methylpentan-3-yl)phenol.

Molecular Properties

Compound Name3-methoxy-4-(2-methylpentan-3-yl)phenol
PubChem CID138474413
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-methoxy-4-(2-methylpentan-3-yl)phenol
SMILESCCC(c1ccc(O)cc1OC)C(C)C
InChIInChI=1S/C13H20O2/c1-5-11(9(2)3)12-7-6-10(14)8-13(12)15-4/h6-9,11,14H,5H2,1-4H3
InChIKeyXFADLLUMYMLHBD-UHFFFAOYSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-dimethylhexan-3-yl)-3-methoxyphenol
CID 170154236
4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-3-methoxyphenol
CID 171261323
3-methoxy-4-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171305112
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride
CID 171266996
4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol
CID 171192094
4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol
CID 171200778
ethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate
CID 171865971
4-[(1R)-1,4-diaminobutyl]-3-methoxyphenol
CID 171200731
4-[(1R,2S)-1-amino-2-hydroxy-5-methylhexyl]-3-methoxyphenol;hydrochloride
CID 171261336
4-[(1S,2R)-1-amino-2-hydroxy-5-methylhexyl]-3-methoxyphenol;hydrochloride
CID 171267020
3-ethoxy-4-[1-(2-ethoxy-4-hydroxyphenyl)propyl]phenol
CID 70566041
ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate
CID 105481737

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(2-methylpentan-3-yl)phenol?
The IUPAC name of 3-methoxy-4-(2-methylpentan-3-yl)phenol (CID 138474413) is 3-methoxy-4-(2-methylpentan-3-yl)phenol.
What is the SMILES notation for 3-methoxy-4-(2-methylpentan-3-yl)phenol?
The canonical SMILES for 3-methoxy-4-(2-methylpentan-3-yl)phenol is CCC(c1ccc(O)cc1OC)C(C)C.
What is the InChIKey of 3-methoxy-4-(2-methylpentan-3-yl)phenol?
The InChIKey is XFADLLUMYMLHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-11(9(2)3)12-7-6-10(14)8-13(12)15-4/h6-9,11,14H,5H2,1-4H3.
What are the key properties of 3-methoxy-4-(2-methylpentan-3-yl)phenol?
3-methoxy-4-(2-methylpentan-3-yl)phenol has a molecular weight of 208.30 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(2-methylpentan-3-yl)phenol is sourced from PubChem (CID 138474413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).