2,5-dimethyl-4-(1-phenylethyl)phenol

C16H18O — CID 44719973

IUPAC2,5-dimethyl-4-(1-phenylethyl)phenol
SMILESCc1cc(C(C)c2ccccc2)c(C)cc1O
InChIInChI=1S/C16H18O/c1-11-10-16(17)12(2)9-15(11)13(3)14-7-5-4-6-8-14/h4-10,13,17H,1-3H3
InChIKeyMNIKCWJNXKVZEU-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.16
Rot. Bonds2

About 2,5-dimethyl-4-(1-phenylethyl)phenol

2,5-dimethyl-4-(1-phenylethyl)phenol (PubChem CID 44719973) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2,5-dimethyl-4-(1-phenylethyl)phenol.

Molecular Properties

Compound Name2,5-dimethyl-4-(1-phenylethyl)phenol
PubChem CID44719973
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name2,5-dimethyl-4-(1-phenylethyl)phenol
SMILESCc1cc(C(C)c2ccccc2)c(C)cc1O
InChIInChI=1S/C16H18O/c1-11-10-16(17)12(2)9-15(11)13(3)14-7-5-4-6-8-14/h4-10,13,17H,1-3H3
InChIKeyMNIKCWJNXKVZEU-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

2-tert-butyl-4-methyl-5-[(1R)-1-phenylethyl]phenol
CID 1270910
4-hydroxy-2-methyl-5-(1-phenylethyl)benzenesulfonic acid
CID 19033725
4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol
CID 138464044
4-(1-phenylethyl)benzene-1,3-diol
CID 11171903
4-[(1R)-1-phenylethyl]benzene-1,3-diol
CID 139072584
4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol
CID 70559392
4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol
CID 69478523
4-fluoro-2-(1-phenylethyl)phenol
CID 83382544
2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393
benzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol
CID 159315795
4-[1-(4-hydroxy-2,5-dimethylphenyl)propyl]-2,5-dimethylphenol
CID 22571327
1-phenylethylbenzene
CID 11918

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(1-phenylethyl)phenol?
The IUPAC name of 2,5-dimethyl-4-(1-phenylethyl)phenol (CID 44719973) is 2,5-dimethyl-4-(1-phenylethyl)phenol.
What is the SMILES notation for 2,5-dimethyl-4-(1-phenylethyl)phenol?
The canonical SMILES for 2,5-dimethyl-4-(1-phenylethyl)phenol is Cc1cc(C(C)c2ccccc2)c(C)cc1O.
What is the InChIKey of 2,5-dimethyl-4-(1-phenylethyl)phenol?
The InChIKey is MNIKCWJNXKVZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-11-10-16(17)12(2)9-15(11)13(3)14-7-5-4-6-8-14/h4-10,13,17H,1-3H3.
What are the key properties of 2,5-dimethyl-4-(1-phenylethyl)phenol?
2,5-dimethyl-4-(1-phenylethyl)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 2,5-dimethyl-4-(1-phenylethyl)phenol is sourced from PubChem (CID 44719973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).