2,6-dimethoxy-3-(3-methylbutyl)-4-(4-methylpentyl)phenol

C19H32O3 — CID 18175867

IUPAC2,6-dimethoxy-3-(3-methylbutyl)-4-(4-methylpentyl)phenol
SMILESCOc1cc(CCCC(C)C)c(CCC(C)C)c(OC)c1O
InChIInChI=1S/C19H32O3/c1-13(2)8-7-9-15-12-17(21-5)18(20)19(22-6)16(15)11-10-14(3)4/h12-14,20H,7-11H2,1-6H3
InChIKeyCLMOFZQEYDPSBE-UHFFFAOYSA-N
MW308.46 g/mol
LogP4.98
Rot. Bonds9

About 2,6-dimethoxy-3-(3-methylbutyl)-4-(4-methylpentyl)phenol

2,6-dimethoxy-3-(3-methylbutyl)-4-(4-methylpentyl)phenol (PubChem CID 18175867) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 2,6-dimethoxy-3-(3-methylbutyl)-4-(4-methylpentyl)phenol.

Molecular Properties

Compound Name2,6-dimethoxy-3-(3-methylbutyl)-4-(4-methylpentyl)phenol
PubChem CID18175867
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name2,6-dimethoxy-3-(3-methylbutyl)-4-(4-methylpentyl)phenol
SMILESCOc1cc(CCCC(C)C)c(CCC(C)C)c(OC)c1O
InChIInChI=1S/C19H32O3/c1-13(2)8-7-9-15-12-17(21-5)18(20)19(22-6)16(15)11-10-14(3)4/h12-14,20H,7-11H2,1-6H3
InChIKeyCLMOFZQEYDPSBE-UHFFFAOYSA-N
XLogP4.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroperoxymethyl)-5-methoxy-6-(3-methylbutyl)-3-(2-phenylethyl)phenol
CID 22986328
4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol
CID 149144682
3-methoxy-2-(3-methylbutyl)phenol
CID 141105088
2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol
CID 59194580
2,3-dimethoxy-5-methyl-6-(3,7,11,15-tetramethylhexadecyl)benzene-1,4-diol
CID 42626984
2,3-dimethoxy-5-methyl-6-[(3S,7R)-3,7,11-trimethyldodecyl]benzene-1,4-diol
CID 166174537
2,3-dimethoxy-5-methyl-6-[(3S,7R,11R)-3,7,11,15-tetramethylhexadecyl]benzene-1,4-diol
CID 162639750
5,7-dimethoxy-6-(3-methylbutyl)chromen-2-one
CID 90655370
1,4-bis(chloromethyl)-2-methoxy-5-(4-methylpentoxy)benzene
CID 134896794
1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]-3-[2-hydroxy-4,6-bis(methoxymethoxy)-3-(3-methylbutyl)phenyl]propan-2-one
CID 88655690
3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
CID 72942691
4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride
CID 171219344

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-3-(3-methylbutyl)-4-(4-methylpentyl)phenol?
The IUPAC name of 2,6-dimethoxy-3-(3-methylbutyl)-4-(4-methylpentyl)phenol (CID 18175867) is 2,6-dimethoxy-3-(3-methylbutyl)-4-(4-methylpentyl)phenol.
What is the SMILES notation for 2,6-dimethoxy-3-(3-methylbutyl)-4-(4-methylpentyl)phenol?
The canonical SMILES for 2,6-dimethoxy-3-(3-methylbutyl)-4-(4-methylpentyl)phenol is COc1cc(CCCC(C)C)c(CCC(C)C)c(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-3-(3-methylbutyl)-4-(4-methylpentyl)phenol?
The InChIKey is CLMOFZQEYDPSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3/c1-13(2)8-7-9-15-12-17(21-5)18(20)19(22-6)16(15)11-10-14(3)4/h12-14,20H,7-11H2,1-6H3.
What are the key properties of 2,6-dimethoxy-3-(3-methylbutyl)-4-(4-methylpentyl)phenol?
2,6-dimethoxy-3-(3-methylbutyl)-4-(4-methylpentyl)phenol has a molecular weight of 308.46 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-3-(3-methylbutyl)-4-(4-methylpentyl)phenol is sourced from PubChem (CID 18175867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).