3-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]phenol

C16H18O2 — CID 145284163

IUPAC3-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]phenol
SMILESCC(C)(Cc1ccc(O)cc1)c1cccc(O)c1
InChIInChI=1S/C16H18O2/c1-16(2,13-4-3-5-15(18)10-13)11-12-6-8-14(17)9-7-12/h3-10,17-18H,11H2,1-2H3
InChIKeyOUIOFWCCGZSDCZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.62
Rot. Bonds3

About 3-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]phenol

3-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]phenol (PubChem CID 145284163) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]phenol.

Molecular Properties

Compound Name3-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]phenol
PubChem CID145284163
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name3-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]phenol
SMILESCC(C)(Cc1ccc(O)cc1)c1cccc(O)c1
InChIInChI=1S/C16H18O2/c1-16(2,13-4-3-5-15(18)10-13)11-12-6-8-14(17)9-7-12/h3-10,17-18H,11H2,1-2H3
InChIKeyOUIOFWCCGZSDCZ-UHFFFAOYSA-N
XLogP3.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]phenol?
The IUPAC name of 3-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]phenol (CID 145284163) is 3-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]phenol.
What is the SMILES notation for 3-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]phenol?
The canonical SMILES for 3-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]phenol is CC(C)(Cc1ccc(O)cc1)c1cccc(O)c1.
What is the InChIKey of 3-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]phenol?
The InChIKey is OUIOFWCCGZSDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-16(2,13-4-3-5-15(18)10-13)11-12-6-8-14(17)9-7-12/h3-10,17-18H,11H2,1-2H3.
What are the key properties of 3-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]phenol?
3-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]phenol has a molecular weight of 242.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]phenol is sourced from PubChem (CID 145284163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).