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

C15H24O2 — CID 154383350

IUPAC5-methoxy-2-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCOc1ccc(C(C)(C)CC(C)(C)C)c(O)c1
InChIInChI=1S/C15H24O2/c1-14(2,3)10-15(4,5)12-8-7-11(17-6)9-13(12)16/h7-9,16H,10H2,1-6H3
InChIKeyDJXQDEUXWFCFBU-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.11
Rot. Bonds3

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

5-methoxy-2-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 154383350) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 5-methoxy-2-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name5-methoxy-2-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID154383350
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name5-methoxy-2-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCOc1ccc(C(C)(C)CC(C)(C)C)c(O)c1
InChIInChI=1S/C15H24O2/c1-14(2,3)10-15(4,5)12-8-7-11(17-6)9-13(12)16/h7-9,16H,10H2,1-6H3
InChIKeyDJXQDEUXWFCFBU-UHFFFAOYSA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-hydroxy-4-methoxyphenyl)-3-methylbutanal
CID 23504356
4-methoxy-2-(2-methylbutan-2-yl)phenol
CID 11557455
2-(4,4-dimethylpentyl)-5-methoxyphenol
CID 146337312
4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 154203171
2-tert-butyl-4-methoxyphenol;ethane
CID 91123159
1,3-dimethoxy-5-(2,4,4-trimethylpentan-2-yl)benzene
CID 144886169
1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene
CID 82081448
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 58983865
2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene
CID 134360467
5-methoxy-2-prop-2-enylphenol
CID 6424515
2-[1-[(2-hydroxy-4,4-dimethylpentyl)amino]ethyl]-5-methoxyphenol
CID 104582540
2-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 82713060

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 5-methoxy-2-(2,4,4-trimethylpentan-2-yl)phenol (CID 154383350) is 5-methoxy-2-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 5-methoxy-2-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 5-methoxy-2-(2,4,4-trimethylpentan-2-yl)phenol is COc1ccc(C(C)(C)CC(C)(C)C)c(O)c1.
What is the InChIKey of 5-methoxy-2-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is DJXQDEUXWFCFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-14(2,3)10-15(4,5)12-8-7-11(17-6)9-13(12)16/h7-9,16H,10H2,1-6H3.
What are the key properties of 5-methoxy-2-(2,4,4-trimethylpentan-2-yl)phenol?
5-methoxy-2-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 236.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 154383350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).