2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol

C14H22O2 — CID 18356493

IUPAC2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol
SMILESCCC(C)(O)c1ccccc1C(C)(O)CC
InChIInChI=1S/C14H22O2/c1-5-13(3,15)11-9-7-8-10-12(11)14(4,16)6-2/h7-10,15-16H,5-6H2,1-4H3
InChIKeyWYRQFWOCLRQIKW-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.92
Rot. Bonds4

About 2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol

2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol (PubChem CID 18356493) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol.

Molecular Properties

Compound Name2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol
PubChem CID18356493
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol
SMILESCCC(C)(O)c1ccccc1C(C)(O)CC
InChIInChI=1S/C14H22O2/c1-5-13(3,15)11-9-7-8-10-12(11)14(4,16)6-2/h7-10,15-16H,5-6H2,1-4H3
InChIKeyWYRQFWOCLRQIKW-UHFFFAOYSA-N
XLogP2.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol?
The IUPAC name of 2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol (CID 18356493) is 2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol.
What is the SMILES notation for 2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol?
The canonical SMILES for 2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol is CCC(C)(O)c1ccccc1C(C)(O)CC.
What is the InChIKey of 2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol?
The InChIKey is WYRQFWOCLRQIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-13(3,15)11-9-7-8-10-12(11)14(4,16)6-2/h7-10,15-16H,5-6H2,1-4H3.
What are the key properties of 2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol?
2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol is sourced from PubChem (CID 18356493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).