3-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-2-ol

C20H34O2 — CID 163614465

IUPAC3-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-2-ol
SMILESCCC(C)(C)c1ccc(OC(C)C(C)O)c(C(C)(C)CC)c1
InChIInChI=1S/C20H34O2/c1-9-19(5,6)16-11-12-18(22-15(4)14(3)21)17(13-16)20(7,8)10-2/h11-15,21H,9-10H2,1-8H3
InChIKeyHITZICWGOPZIOP-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.21
Rot. Bonds7

About 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-2-ol

3-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-2-ol (PubChem CID 163614465) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-2-ol.

Molecular Properties

Compound Name3-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-2-ol
PubChem CID163614465
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name3-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-2-ol
SMILESCCC(C)(C)c1ccc(OC(C)C(C)O)c(C(C)(C)CC)c1
InChIInChI=1S/C20H34O2/c1-9-19(5,6)16-11-12-18(22-15(4)14(3)21)17(13-16)20(7,8)10-2/h11-15,21H,9-10H2,1-8H3
InChIKeyHITZICWGOPZIOP-UHFFFAOYSA-N
XLogP5.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-ethylpentanoyl chloride
CID 56606464
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-phenylpropanamide
CID 57085661
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexan-1-ol;hydrochloride
CID 70357884
methyl 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanoate
CID 54082912
[2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite
CID 19899887
3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol
CID 18957392
[2,4-bis(2-methylbutan-2-yl)phenyl] 3,5-ditert-butylbenzoate
CID 57060342
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-chlorophenyl)-N-hydroxybutanamide
CID 57239890
1-butoxy-2,4-bis(2-methylbutan-2-yl)benzene;ethane
CID 145478769
[2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate
CID 138660138
2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid
CID 71089254
[2,4-bis(2-methylbutan-2-yl)phenyl] fluoro hydrogen phosphite
CID 70237708

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-2-ol?
The IUPAC name of 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-2-ol (CID 163614465) is 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-2-ol.
What is the SMILES notation for 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-2-ol?
The canonical SMILES for 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-2-ol is CCC(C)(C)c1ccc(OC(C)C(C)O)c(C(C)(C)CC)c1.
What is the InChIKey of 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-2-ol?
The InChIKey is HITZICWGOPZIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-9-19(5,6)16-11-12-18(22-15(4)14(3)21)17(13-16)20(7,8)10-2/h11-15,21H,9-10H2,1-8H3.
What are the key properties of 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-2-ol?
3-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-2-ol has a molecular weight of 306.49 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-2-ol is sourced from PubChem (CID 163614465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).