4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol

C16H26O — CID 154203171

IUPAC4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCc1cc(O)c(C(C)(C)CC(C)(C)C)cc1C
InChIInChI=1S/C16H26O/c1-11-8-13(14(17)9-12(11)2)16(6,7)10-15(3,4)5/h8-9,17H,10H2,1-7H3
InChIKeySIYQTQMBHFAWBZ-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.72
Rot. Bonds2

About 4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol

4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 154203171) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID154203171
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCc1cc(O)c(C(C)(C)CC(C)(C)C)cc1C
InChIInChI=1S/C16H26O/c1-11-8-13(14(17)9-12(11)2)16(6,7)10-15(3,4)5/h8-9,17H,10H2,1-7H3
InChIKeySIYQTQMBHFAWBZ-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol
CID 156787448
4,5-dimethyl-2-(2-methylbutan-2-yl)phenol
CID 130033349
4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 521263
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,5-dimethylphenol
CID 130610700
5-methoxy-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 154383350
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 58983865
4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 22734658
2,5-bis[4-(4-hydroxy-3,5-dimethylphenyl)-2-methylbutan-2-yl]benzene-1,4-diol
CID 59638972
2-[3-hydroxy-2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]acetamide
CID 88783927
4-[1-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol
CID 22769774
2,4-ditert-butyl-5-methylphenol
CID 10346
4-[4-hydroxy-2-methyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-5-methyl-2-(2-methylpentan-2-yl)phenol
CID 71344374

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol (CID 154203171) is 4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol is Cc1cc(O)c(C(C)(C)CC(C)(C)C)cc1C.
What is the InChIKey of 4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is SIYQTQMBHFAWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-11-8-13(14(17)9-12(11)2)16(6,7)10-15(3,4)5/h8-9,17H,10H2,1-7H3.
What are the key properties of 4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol?
4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 234.38 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 154203171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).