6-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(3-tert-butyl-4-methoxy-5-methylphenyl)hexane-1,4-diol

C30H46O4 — CID 70234299

IUPAC6-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(3-tert-butyl-4-methoxy-5-methylphenyl)hexane-1,4-diol
SMILESCOc1c(C)cc(C(CCO)C(O)CCc2cc(C)cc(C(C)(C)C)c2OC)cc1C(C)(C)C
InChIInChI=1S/C30H46O4/c1-19-15-21(28(34-10)24(16-19)29(3,4)5)11-12-26(32)23(13-14-31)22-17-20(2)27(33-9)25(18-22)30(6,7)8/h15-18,23,26,31-32H,11-14H2,1-10H3
InChIKeyFJDYIGPSSQFJRI-UHFFFAOYSA-N
MW470.69 g/mol
LogP6.38
Rot. Bonds9

About 6-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(3-tert-butyl-4-methoxy-5-methylphenyl)hexane-1,4-diol

6-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(3-tert-butyl-4-methoxy-5-methylphenyl)hexane-1,4-diol (PubChem CID 70234299) has the molecular formula C30H46O4 and a molecular weight of 470.69 g/mol. Its IUPAC name is 6-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(3-tert-butyl-4-methoxy-5-methylphenyl)hexane-1,4-diol.

Molecular Properties

Compound Name6-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(3-tert-butyl-4-methoxy-5-methylphenyl)hexane-1,4-diol
PubChem CID70234299
Molecular FormulaC30H46O4
Molecular Weight470.69 g/mol
Exact Mass470.34
IUPAC Name6-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(3-tert-butyl-4-methoxy-5-methylphenyl)hexane-1,4-diol
SMILESCOc1c(C)cc(C(CCO)C(O)CCc2cc(C)cc(C(C)(C)C)c2OC)cc1C(C)(C)C
InChIInChI=1S/C30H46O4/c1-19-15-21(28(34-10)24(16-19)29(3,4)5)11-12-26(32)23(13-14-31)22-17-20(2)27(33-9)25(18-22)30(6,7)8/h15-18,23,26,31-32H,11-14H2,1-10H3
InChIKeyFJDYIGPSSQFJRI-UHFFFAOYSA-N
XLogP6.38
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.69
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(3-tert-butyl-4-methoxy-5-methylphenyl)hexane-1,4-diol with MolForge

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Related Compounds

5-(3-tert-butyl-2-methoxy-5-methylphenyl)pentane-2,3-diol
CID 83943010
4-amino-1-(3-tert-butyl-2-methoxy-5-methylphenyl)heptan-3-ol
CID 83943004
1-(3-tert-butyl-2-ethoxy-5-methylphenyl)heptane-3,4-diol
CID 83943134
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine
CID 95452310
1-(3-tert-butyl-4-methoxy-5-methylphenyl)-2-(methylamino)ethanol
CID 117382207
4-(3-tert-butyl-2-methoxy-5-methylphenyl)butan-1-amine
CID 95460977
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol
CID 112513655
3-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(methylamino)propan-1-ol
CID 112512927
1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol
CID 82292256
3-(3,5-ditert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 83938573
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 82297608
2-[(3-tert-butyl-4-methoxy-5-methylphenyl)methyl]prop-2-en-1-ol
CID 122503618

Frequently Asked Questions

What is the IUPAC name of 6-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(3-tert-butyl-4-methoxy-5-methylphenyl)hexane-1,4-diol?
The IUPAC name of 6-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(3-tert-butyl-4-methoxy-5-methylphenyl)hexane-1,4-diol (CID 70234299) is 6-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(3-tert-butyl-4-methoxy-5-methylphenyl)hexane-1,4-diol.
What is the SMILES notation for 6-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(3-tert-butyl-4-methoxy-5-methylphenyl)hexane-1,4-diol?
The canonical SMILES for 6-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(3-tert-butyl-4-methoxy-5-methylphenyl)hexane-1,4-diol is COc1c(C)cc(C(CCO)C(O)CCc2cc(C)cc(C(C)(C)C)c2OC)cc1C(C)(C)C.
What is the InChIKey of 6-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(3-tert-butyl-4-methoxy-5-methylphenyl)hexane-1,4-diol?
The InChIKey is FJDYIGPSSQFJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46O4/c1-19-15-21(28(34-10)24(16-19)29(3,4)5)11-12-26(32)23(13-14-31)22-17-20(2)27(33-9)25(18-22)30(6,7)8/h15-18,23,26,31-32H,11-14H2,1-10H3.
What are the key properties of 6-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(3-tert-butyl-4-methoxy-5-methylphenyl)hexane-1,4-diol?
6-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(3-tert-butyl-4-methoxy-5-methylphenyl)hexane-1,4-diol has a molecular weight of 470.69 g/mol, XLogP of 6.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(3-tert-butyl-4-methoxy-5-methylphenyl)hexane-1,4-diol is sourced from PubChem (CID 70234299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).