2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]butan-2-ol

C16H26O3 — CID 59095341

IUPAC2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]butan-2-ol
SMILESCCC(C)(O)c1cc(C(C)(C)O)cc(C(C)(C)O)c1
InChIInChI=1S/C16H26O3/c1-7-16(6,19)13-9-11(14(2,3)17)8-12(10-13)15(4,5)18/h8-10,17-19H,7H2,1-6H3
InChIKeyDXJKCQHKFPIQTQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.76
Rot. Bonds4

About 2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]butan-2-ol

2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]butan-2-ol (PubChem CID 59095341) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]butan-2-ol.

Molecular Properties

Compound Name2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]butan-2-ol
PubChem CID59095341
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]butan-2-ol
SMILESCCC(C)(O)c1cc(C(C)(C)O)cc(C(C)(C)O)c1
InChIInChI=1S/C16H26O3/c1-7-16(6,19)13-9-11(14(2,3)17)8-12(10-13)15(4,5)18/h8-10,17-19H,7H2,1-6H3
InChIKeyDXJKCQHKFPIQTQ-UHFFFAOYSA-N
XLogP2.76
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]butan-2-ol?
The IUPAC name of 2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]butan-2-ol (CID 59095341) is 2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]butan-2-ol.
What is the SMILES notation for 2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]butan-2-ol?
The canonical SMILES for 2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]butan-2-ol is CCC(C)(O)c1cc(C(C)(C)O)cc(C(C)(C)O)c1.
What is the InChIKey of 2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]butan-2-ol?
The InChIKey is DXJKCQHKFPIQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-7-16(6,19)13-9-11(14(2,3)17)8-12(10-13)15(4,5)18/h8-10,17-19H,7H2,1-6H3.
What are the key properties of 2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]butan-2-ol?
2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]butan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]butan-2-ol is sourced from PubChem (CID 59095341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).