4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol

C17H20O2 — CID 6620

IUPAC4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
SMILESCc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O
InChIInChI=1S/C17H20O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-10,18-19H,1-4H3
InChIKeyYMTYZTXUZLQUSF-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.04
Rot. Bonds2

About 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol

4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol (PubChem CID 6620) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
PubChem CID6620
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
SMILESCc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O
InChIInChI=1S/C17H20O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-10,18-19H,1-4H3
InChIKeyYMTYZTXUZLQUSF-UHFFFAOYSA-N
XLogP4.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-Pentylphenol
CID 6643
Diethylstilbestrol
CID 448537
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
Tert-Butylhydroquinone
CID 16043
2,6-Di-tert-butyl-4-methylphenol
CID 31404
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017
4-tert-Butylphenol
CID 7393
Magnolol
CID 72300
Hexestrol
CID 192197
4-Nonylphenol
CID 1752

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol?
The IUPAC name of 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol (CID 6620) is 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol.
What is the SMILES notation for 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol?
The canonical SMILES for 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol is Cc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O.
What is the InChIKey of 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol?
The InChIKey is YMTYZTXUZLQUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-10,18-19H,1-4H3.
What are the key properties of 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol?
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol has a molecular weight of 256.34 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol is sourced from PubChem (CID 6620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).