2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol

C14H22O2 — CID 117318740

IUPAC2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol
SMILESCc1cc(O)c(C(C)(C)C)cc1CCCO
InChIInChI=1S/C14H22O2/c1-10-8-13(16)12(14(2,3)4)9-11(10)6-5-7-15/h8-9,15-16H,5-7H2,1-4H3
InChIKeyIJPOIRIBLMMHOG-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.92
Rot. Bonds3

About 2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol

2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol (PubChem CID 117318740) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol
PubChem CID117318740
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol
SMILESCc1cc(O)c(C(C)(C)C)cc1CCCO
InChIInChI=1S/C14H22O2/c1-10-8-13(16)12(14(2,3)4)9-11(10)6-5-7-15/h8-9,15-16H,5-7H2,1-4H3
InChIKeyIJPOIRIBLMMHOG-UHFFFAOYSA-N
XLogP2.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butyl-5-hydroxy-2-methylphenyl)butanoic acid
CID 117379432
2-tert-butyl-5-methyl-4-(9-sulfanyldodecyl)phenol
CID 139881073
2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol
CID 117318695
2-(5-tert-butyl-4-hydroxy-2-methylphenyl)acetaldehyde
CID 154998394
2-tert-butyl-4-[2-hydroxy-5-(4-hydroxybutylamino)pentyl]-5-methylphenol
CID 139768826
2,4-ditert-butyl-5-methylphenol
CID 10346
4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol
CID 23345326
dodecyl 3-(5-tert-butyl-4-hydroxy-2-methylphenyl)propanoate
CID 21446624
2-tert-butyl-4-[2-[3-[2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-5-methylphenol
CID 139762092
2-tert-butyl-4-[4-(5-tert-butyl-4-hydroxy-2-methylcyclohexa-2,4-dien-1-ylidene)butyl]-5-methylphenol
CID 88550630
2,4-ditert-butyl-5-methylphenol;titanium
CID 174406764
2-tert-butyl-4-[4-(5-tert-butyl-4-hydroxy-2-methylphenyl)heptadecyl]-5-methylphenol;dihydroxyphosphanyl dihydrogen phosphite
CID 157394982

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol?
The IUPAC name of 2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol (CID 117318740) is 2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol.
What is the SMILES notation for 2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol?
The canonical SMILES for 2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol is Cc1cc(O)c(C(C)(C)C)cc1CCCO.
What is the InChIKey of 2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol?
The InChIKey is IJPOIRIBLMMHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10-8-13(16)12(14(2,3)4)9-11(10)6-5-7-15/h8-9,15-16H,5-7H2,1-4H3.
What are the key properties of 2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol?
2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol has a molecular weight of 222.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol is sourced from PubChem (CID 117318740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).