4-methyl-2-[1-(4-methylphenyl)ethyl]phenol

C16H18O — CID 46930570

IUPAC4-methyl-2-[1-(4-methylphenyl)ethyl]phenol
SMILESCc1ccc(C(C)c2cc(C)ccc2O)cc1
InChIInChI=1S/C16H18O/c1-11-4-7-14(8-5-11)13(3)15-10-12(2)6-9-16(15)17/h4-10,13,17H,1-3H3
InChIKeyLGKRBJLBDHJMPQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.16
Rot. Bonds2

About 4-methyl-2-[1-(4-methylphenyl)ethyl]phenol

4-methyl-2-[1-(4-methylphenyl)ethyl]phenol (PubChem CID 46930570) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-methyl-2-[1-(4-methylphenyl)ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-(4-methylphenyl)ethyl]phenol
PubChem CID46930570
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name4-methyl-2-[1-(4-methylphenyl)ethyl]phenol
SMILESCc1ccc(C(C)c2cc(C)ccc2O)cc1
InChIInChI=1S/C16H18O/c1-11-4-7-14(8-5-11)13(3)15-10-12(2)6-9-16(15)17/h4-10,13,17H,1-3H3
InChIKeyLGKRBJLBDHJMPQ-UHFFFAOYSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol
CID 154108469
4-methyl-2-[1-(4-methylphenyl)ethyl]aniline
CID 86084630
4-methyl-2-[(1R)-1-(methylamino)ethyl]phenol
CID 55277105
4-methyl-2-[1-(methylamino)ethyl]phenol
CID 43504566
4-[1-(4-methylphenyl)ethyl]phenol
CID 23036862
2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol
CID 55293346
2-[bis(4-methylphenyl)methyl]-5-methylphenol
CID 21115451
2-[(S)-amino(phenyl)methyl]-4-methylphenol
CID 131560802
4-fluoro-2-(1-phenylethyl)phenol
CID 83382544
3-(2-hydroxy-5-methylphenyl)-2-methylbutanethioamide
CID 83922867
4-methyl-2-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]phenol
CID 81405986
2-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-methylaniline
CID 131862398

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(4-methylphenyl)ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-(4-methylphenyl)ethyl]phenol (CID 46930570) is 4-methyl-2-[1-(4-methylphenyl)ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-(4-methylphenyl)ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-(4-methylphenyl)ethyl]phenol is Cc1ccc(C(C)c2cc(C)ccc2O)cc1.
What is the InChIKey of 4-methyl-2-[1-(4-methylphenyl)ethyl]phenol?
The InChIKey is LGKRBJLBDHJMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-11-4-7-14(8-5-11)13(3)15-10-12(2)6-9-16(15)17/h4-10,13,17H,1-3H3.
What are the key properties of 4-methyl-2-[1-(4-methylphenyl)ethyl]phenol?
4-methyl-2-[1-(4-methylphenyl)ethyl]phenol has a molecular weight of 226.32 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(4-methylphenyl)ethyl]phenol is sourced from PubChem (CID 46930570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).