4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol

C17H20O — CID 21015145

IUPAC4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol
SMILESCc1ccc(O)c(Cc2cc(C)cc(C)c2C)c1
InChIInChI=1S/C17H20O/c1-11-5-6-17(18)16(8-11)10-15-9-12(2)7-13(3)14(15)4/h5-9,18H,10H2,1-4H3
InChIKeyKFHRQRBUGPSCDS-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.22
Rot. Bonds2

About 4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol

4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol (PubChem CID 21015145) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol
PubChem CID21015145
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol
SMILESCc1ccc(O)c(Cc2cc(C)cc(C)c2C)c1
InChIInChI=1S/C17H20O/c1-11-5-6-17(18)16(8-11)10-15-9-12(2)7-13(3)14(15)4/h5-9,18H,10H2,1-4H3
InChIKeyKFHRQRBUGPSCDS-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-2-[(3,4,5-trimethylphenyl)methyl]phenol
CID 90160310
2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane
CID 174155977
2-[(2-hydroxy-5-methylphenyl)methyl]-4-[[3-[(2-hydroxy-5-methylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol
CID 143901407
4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol
CID 70116122
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten
CID 153466850
1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene
CID 20734489
2-[(3-hydroxy-4-methylphenyl)methyl]-4-methylphenol
CID 143552541
4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol
CID 162304055
4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
CID 150105326
2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 10894744
2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
CID 58625699
1-[(2,5-dimethylphenyl)methyl]-5-[[3-[(2,5-dimethylphenyl)methyl]-4,5-dimethylphenyl]methyl]-2,3-dimethylbenzene
CID 163739903

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol?
The IUPAC name of 4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol (CID 21015145) is 4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol.
What is the SMILES notation for 4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol?
The canonical SMILES for 4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol is Cc1ccc(O)c(Cc2cc(C)cc(C)c2C)c1.
What is the InChIKey of 4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol?
The InChIKey is KFHRQRBUGPSCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-11-5-6-17(18)16(8-11)10-15-9-12(2)7-13(3)14(15)4/h5-9,18H,10H2,1-4H3.
What are the key properties of 4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol?
4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol has a molecular weight of 240.35 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol is sourced from PubChem (CID 21015145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).