2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol

C14H22O3 — CID 117349561

IUPAC2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol
SMILESCOc1cc(C(C)(C)C)c(O)cc1C(C)(C)O
InChIInChI=1S/C14H22O3/c1-13(2,3)9-8-12(17-6)10(7-11(9)15)14(4,5)16/h7-8,15-16H,1-6H3
InChIKeyUKHLFRWKKXQVGA-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.93
Rot. Bonds2

About 2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol

2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol (PubChem CID 117349561) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol.

Molecular Properties

Compound Name2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol
PubChem CID117349561
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol
SMILESCOc1cc(C(C)(C)C)c(O)cc1C(C)(C)O
InChIInChI=1S/C14H22O3/c1-13(2,3)9-8-12(17-6)10(7-11(9)15)14(4,5)16/h7-8,15-16H,1-6H3
InChIKeyUKHLFRWKKXQVGA-UHFFFAOYSA-N
XLogP2.93
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol
CID 59095315
5-tert-butyl-2-(2-iodopropan-2-yl)-4-methoxyphenol
CID 126635060
2-tert-butyl-5-chloro-4-methoxyphenol
CID 134599266
2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane
CID 145081658
2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol
CID 117318718
2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol
CID 84670502
5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol
CID 117342981
2-tert-butyl-4-methoxy-5-[2-(methylamino)ethyl]phenol
CID 117347696
2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol
CID 84694057
5-(1-aminocyclobutyl)-2-tert-butyl-4-methoxyphenol
CID 117377061
4-amino-4-(4-tert-butyl-5-hydroxy-2-methoxyphenyl)butanoic acid
CID 117451566
2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-ol
CID 117357814

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol?
The IUPAC name of 2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol (CID 117349561) is 2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol.
What is the SMILES notation for 2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol?
The canonical SMILES for 2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol is COc1cc(C(C)(C)C)c(O)cc1C(C)(C)O.
What is the InChIKey of 2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol?
The InChIKey is UKHLFRWKKXQVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-13(2,3)9-8-12(17-6)10(7-11(9)15)14(4,5)16/h7-8,15-16H,1-6H3.
What are the key properties of 2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol?
2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol has a molecular weight of 238.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol is sourced from PubChem (CID 117349561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).