2-[2-(4-hydroxyphenyl)propan-2-yl]-6-methylphenol

C16H18O2 — CID 121304104

IUPAC2-[2-(4-hydroxyphenyl)propan-2-yl]-6-methylphenol
SMILESCc1cccc(C(C)(C)c2ccc(O)cc2)c1O
InChIInChI=1S/C16H18O2/c1-11-5-4-6-14(15(11)18)16(2,3)12-7-9-13(17)10-8-12/h4-10,17-18H,1-3H3
InChIKeyOBEKDXMRNCAKIQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.73
Rot. Bonds2

About 2-[2-(4-hydroxyphenyl)propan-2-yl]-6-methylphenol

2-[2-(4-hydroxyphenyl)propan-2-yl]-6-methylphenol (PubChem CID 121304104) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)propan-2-yl]-6-methylphenol.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)propan-2-yl]-6-methylphenol
PubChem CID121304104
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-[2-(4-hydroxyphenyl)propan-2-yl]-6-methylphenol
SMILESCc1cccc(C(C)(C)c2ccc(O)cc2)c1O
InChIInChI=1S/C16H18O2/c1-11-5-4-6-14(15(11)18)16(2,3)12-7-9-13(17)10-8-12/h4-10,17-18H,1-3H3
InChIKeyOBEKDXMRNCAKIQ-UHFFFAOYSA-N
XLogP3.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)propan-2-yl]-6-methylphenol?
The IUPAC name of 2-[2-(4-hydroxyphenyl)propan-2-yl]-6-methylphenol (CID 121304104) is 2-[2-(4-hydroxyphenyl)propan-2-yl]-6-methylphenol.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)propan-2-yl]-6-methylphenol?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)propan-2-yl]-6-methylphenol is Cc1cccc(C(C)(C)c2ccc(O)cc2)c1O.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)propan-2-yl]-6-methylphenol?
The InChIKey is OBEKDXMRNCAKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-11-5-4-6-14(15(11)18)16(2,3)12-7-9-13(17)10-8-12/h4-10,17-18H,1-3H3.
What are the key properties of 2-[2-(4-hydroxyphenyl)propan-2-yl]-6-methylphenol?
2-[2-(4-hydroxyphenyl)propan-2-yl]-6-methylphenol has a molecular weight of 242.32 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)propan-2-yl]-6-methylphenol is sourced from PubChem (CID 121304104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).