[4-[1-[(3-tert-butylphenyl)methoxy]-2-methylpropan-2-yl]phenyl]methanol

C22H30O2 — CID 146243336

IUPAC[4-[1-[(3-tert-butylphenyl)methoxy]-2-methylpropan-2-yl]phenyl]methanol
SMILESCC(C)(C)c1cccc(COCC(C)(C)c2ccc(CO)cc2)c1
InChIInChI=1S/C22H30O2/c1-21(2,3)20-8-6-7-18(13-20)15-24-16-22(4,5)19-11-9-17(14-23)10-12-19/h6-13,23H,14-16H2,1-5H3
InChIKeyUAUSXAZBQQCPDD-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.97
Rot. Bonds6

About [4-[1-[(3-tert-butylphenyl)methoxy]-2-methylpropan-2-yl]phenyl]methanol

[4-[1-[(3-tert-butylphenyl)methoxy]-2-methylpropan-2-yl]phenyl]methanol (PubChem CID 146243336) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is [4-[1-[(3-tert-butylphenyl)methoxy]-2-methylpropan-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[1-[(3-tert-butylphenyl)methoxy]-2-methylpropan-2-yl]phenyl]methanol
PubChem CID146243336
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name[4-[1-[(3-tert-butylphenyl)methoxy]-2-methylpropan-2-yl]phenyl]methanol
SMILESCC(C)(C)c1cccc(COCC(C)(C)c2ccc(CO)cc2)c1
InChIInChI=1S/C22H30O2/c1-21(2,3)20-8-6-7-18(13-20)15-24-16-22(4,5)19-11-9-17(14-23)10-12-19/h6-13,23H,14-16H2,1-5H3
InChIKeyUAUSXAZBQQCPDD-UHFFFAOYSA-N
XLogP4.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[1-[(3-tert-butylphenyl)methoxy]-2-methylpropan-2-yl]phenyl]methanol?
The IUPAC name of [4-[1-[(3-tert-butylphenyl)methoxy]-2-methylpropan-2-yl]phenyl]methanol (CID 146243336) is [4-[1-[(3-tert-butylphenyl)methoxy]-2-methylpropan-2-yl]phenyl]methanol.
What is the SMILES notation for [4-[1-[(3-tert-butylphenyl)methoxy]-2-methylpropan-2-yl]phenyl]methanol?
The canonical SMILES for [4-[1-[(3-tert-butylphenyl)methoxy]-2-methylpropan-2-yl]phenyl]methanol is CC(C)(C)c1cccc(COCC(C)(C)c2ccc(CO)cc2)c1.
What is the InChIKey of [4-[1-[(3-tert-butylphenyl)methoxy]-2-methylpropan-2-yl]phenyl]methanol?
The InChIKey is UAUSXAZBQQCPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-21(2,3)20-8-6-7-18(13-20)15-24-16-22(4,5)19-11-9-17(14-23)10-12-19/h6-13,23H,14-16H2,1-5H3.
What are the key properties of [4-[1-[(3-tert-butylphenyl)methoxy]-2-methylpropan-2-yl]phenyl]methanol?
[4-[1-[(3-tert-butylphenyl)methoxy]-2-methylpropan-2-yl]phenyl]methanol has a molecular weight of 326.48 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(3-tert-butylphenyl)methoxy]-2-methylpropan-2-yl]phenyl]methanol is sourced from PubChem (CID 146243336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).