6-(5-tert-butyl-2-ethylphenyl)heptane-3,4-diol

C19H32O2 — CID 83927642

IUPAC6-(5-tert-butyl-2-ethylphenyl)heptane-3,4-diol
SMILESCCc1ccc(C(C)(C)C)cc1C(C)CC(O)C(O)CC
InChIInChI=1S/C19H32O2/c1-7-14-9-10-15(19(4,5)6)12-16(14)13(3)11-18(21)17(20)8-2/h9-10,12-13,17-18,20-21H,7-8,11H2,1-6H3
InChIKeySOYSAFABZWUREU-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.17
Rot. Bonds6

About 6-(5-tert-butyl-2-ethylphenyl)heptane-3,4-diol

6-(5-tert-butyl-2-ethylphenyl)heptane-3,4-diol (PubChem CID 83927642) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 6-(5-tert-butyl-2-ethylphenyl)heptane-3,4-diol.

Molecular Properties

Compound Name6-(5-tert-butyl-2-ethylphenyl)heptane-3,4-diol
PubChem CID83927642
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name6-(5-tert-butyl-2-ethylphenyl)heptane-3,4-diol
SMILESCCc1ccc(C(C)(C)C)cc1C(C)CC(O)C(O)CC
InChIInChI=1S/C19H32O2/c1-7-14-9-10-15(19(4,5)6)12-16(14)13(3)11-18(21)17(20)8-2/h9-10,12-13,17-18,20-21H,7-8,11H2,1-6H3
InChIKeySOYSAFABZWUREU-UHFFFAOYSA-N
XLogP4.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine
CID 83927537
2-(4-bromobutan-2-yl)-4-tert-butyl-1-ethylbenzene
CID 83927529
4-tert-butyl-1-ethyl-2-[(Z)-hex-4-en-2-yl]benzene
CID 83927610
2-[2-(5-tert-butyl-2-ethylphenyl)propyl]-3-ethyloxirane
CID 83927621
3-(5-tert-butyl-2-ethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol
CID 83927558
4-tert-butyl-1-ethyl-2-hex-5-yn-3-ylbenzene
CID 83927601
5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol
CID 83935661
5-amino-2-(2,5-diethylphenyl)octan-4-ol
CID 83921005
6-(2,3-dichlorophenyl)heptane-3,4-diol
CID 83924756
2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanol
CID 65150147
3-(5-tert-butyl-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83927557
1-amino-4-(2,5-diethylphenyl)pentan-2-ol
CID 83921003

Frequently Asked Questions

What is the IUPAC name of 6-(5-tert-butyl-2-ethylphenyl)heptane-3,4-diol?
The IUPAC name of 6-(5-tert-butyl-2-ethylphenyl)heptane-3,4-diol (CID 83927642) is 6-(5-tert-butyl-2-ethylphenyl)heptane-3,4-diol.
What is the SMILES notation for 6-(5-tert-butyl-2-ethylphenyl)heptane-3,4-diol?
The canonical SMILES for 6-(5-tert-butyl-2-ethylphenyl)heptane-3,4-diol is CCc1ccc(C(C)(C)C)cc1C(C)CC(O)C(O)CC.
What is the InChIKey of 6-(5-tert-butyl-2-ethylphenyl)heptane-3,4-diol?
The InChIKey is SOYSAFABZWUREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-7-14-9-10-15(19(4,5)6)12-16(14)13(3)11-18(21)17(20)8-2/h9-10,12-13,17-18,20-21H,7-8,11H2,1-6H3.
What are the key properties of 6-(5-tert-butyl-2-ethylphenyl)heptane-3,4-diol?
6-(5-tert-butyl-2-ethylphenyl)heptane-3,4-diol has a molecular weight of 292.46 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-tert-butyl-2-ethylphenyl)heptane-3,4-diol is sourced from PubChem (CID 83927642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).