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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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).