2-[2,3-bis(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-ol

C18H30O3 — CID 67918759

IUPAC2-[2,3-bis(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cccc(C(C)(C)CO)c1C(C)(C)CO
InChIInChI=1S/C18H30O3/c1-16(2,10-19)13-8-7-9-14(17(3,4)11-20)15(13)18(5,6)12-21/h7-9,19-21H,10-12H2,1-6H3
InChIKeyIXROSYDMHSSVRQ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.50
Rot. Bonds6

About 2-[2,3-bis(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-ol

2-[2,3-bis(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-ol (PubChem CID 67918759) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[2,3-bis(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2,3-bis(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-ol
PubChem CID67918759
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name2-[2,3-bis(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cccc(C(C)(C)CO)c1C(C)(C)CO
InChIInChI=1S/C18H30O3/c1-16(2,10-19)13-8-7-9-14(17(3,4)11-20)15(13)18(5,6)12-21/h7-9,19-21H,10-12H2,1-6H3
InChIKeyIXROSYDMHSSVRQ-UHFFFAOYSA-N
XLogP2.50
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[2,3-bis(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-ol (CID 67918759) is 2-[2,3-bis(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2,3-bis(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2,3-bis(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-ol is CC(C)(CO)c1cccc(C(C)(C)CO)c1C(C)(C)CO.
What is the InChIKey of 2-[2,3-bis(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-ol?
The InChIKey is IXROSYDMHSSVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-16(2,10-19)13-8-7-9-14(17(3,4)11-20)15(13)18(5,6)12-21/h7-9,19-21H,10-12H2,1-6H3.
What are the key properties of 2-[2,3-bis(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-ol?
2-[2,3-bis(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 67918759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).