4-methoxy-2-[3-methoxy-5-(2-methylbutan-2-yl)phenyl]-6-(2-methylbutan-2-yl)phenol

C24H34O3 — CID 18401178

IUPAC4-methoxy-2-[3-methoxy-5-(2-methylbutan-2-yl)phenyl]-6-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(OC)cc(-c2cc(OC)cc(C(C)(C)CC)c2O)c1
InChIInChI=1S/C24H34O3/c1-9-23(3,4)17-11-16(12-18(13-17)26-7)20-14-19(27-8)15-21(22(20)25)24(5,6)10-2/h11-15,25H,9-10H2,1-8H3
InChIKeyMLJCSVLYQXYDLW-UHFFFAOYSA-N
MW370.53 g/mol
LogP6.45
Rot. Bonds7

About 4-methoxy-2-[3-methoxy-5-(2-methylbutan-2-yl)phenyl]-6-(2-methylbutan-2-yl)phenol

4-methoxy-2-[3-methoxy-5-(2-methylbutan-2-yl)phenyl]-6-(2-methylbutan-2-yl)phenol (PubChem CID 18401178) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is 4-methoxy-2-[3-methoxy-5-(2-methylbutan-2-yl)phenyl]-6-(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name4-methoxy-2-[3-methoxy-5-(2-methylbutan-2-yl)phenyl]-6-(2-methylbutan-2-yl)phenol
PubChem CID18401178
Molecular FormulaC24H34O3
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name4-methoxy-2-[3-methoxy-5-(2-methylbutan-2-yl)phenyl]-6-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(OC)cc(-c2cc(OC)cc(C(C)(C)CC)c2O)c1
InChIInChI=1S/C24H34O3/c1-9-23(3,4)17-11-16(12-18(13-17)26-7)20-14-19(27-8)15-21(22(20)25)24(5,6)10-2/h11-15,25H,9-10H2,1-8H3
InChIKeyMLJCSVLYQXYDLW-UHFFFAOYSA-N
XLogP6.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-(2-methylbutan-2-yl)phenol
CID 11557455
2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-6-methylphenol
CID 117300457
2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol
CID 20689836
2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol
CID 166011841
2,6-ditert-butyl-4-methoxyphenol
CID 10269
2-fluoro-6-methoxy-4-(2-methylbutan-2-yl)phenol
CID 158345455
2-tert-butyl-6-(2-hydroxyphenyl)-4-methoxyphenol
CID 139908520
2-(3-ethyl-5-methoxyphenyl)-2-methylpropan-1-ol
CID 117297890
1,3-dimethoxy-5-(2,4,4-trimethylpentan-2-yl)benzene
CID 144886169
tert-butyl [2-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-6-[5-[3-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-2-hydroxy-5-methoxyphenyl]-2,5-dimethylhexan-2-yl]-4-methoxyphenyl] carbonate
CID 134331391
2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene
CID 23002700
1,1-bis[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]ethyl prop-2-enoate
CID 57052760

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[3-methoxy-5-(2-methylbutan-2-yl)phenyl]-6-(2-methylbutan-2-yl)phenol?
The IUPAC name of 4-methoxy-2-[3-methoxy-5-(2-methylbutan-2-yl)phenyl]-6-(2-methylbutan-2-yl)phenol (CID 18401178) is 4-methoxy-2-[3-methoxy-5-(2-methylbutan-2-yl)phenyl]-6-(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 4-methoxy-2-[3-methoxy-5-(2-methylbutan-2-yl)phenyl]-6-(2-methylbutan-2-yl)phenol?
The canonical SMILES for 4-methoxy-2-[3-methoxy-5-(2-methylbutan-2-yl)phenyl]-6-(2-methylbutan-2-yl)phenol is CCC(C)(C)c1cc(OC)cc(-c2cc(OC)cc(C(C)(C)CC)c2O)c1.
What is the InChIKey of 4-methoxy-2-[3-methoxy-5-(2-methylbutan-2-yl)phenyl]-6-(2-methylbutan-2-yl)phenol?
The InChIKey is MLJCSVLYQXYDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O3/c1-9-23(3,4)17-11-16(12-18(13-17)26-7)20-14-19(27-8)15-21(22(20)25)24(5,6)10-2/h11-15,25H,9-10H2,1-8H3.
What are the key properties of 4-methoxy-2-[3-methoxy-5-(2-methylbutan-2-yl)phenyl]-6-(2-methylbutan-2-yl)phenol?
4-methoxy-2-[3-methoxy-5-(2-methylbutan-2-yl)phenyl]-6-(2-methylbutan-2-yl)phenol has a molecular weight of 370.53 g/mol, XLogP of 6.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[3-methoxy-5-(2-methylbutan-2-yl)phenyl]-6-(2-methylbutan-2-yl)phenol is sourced from PubChem (CID 18401178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).