4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol

C18H22O2 — CID 150183157

IUPAC4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol
SMILESCOc1ccc(Cc2cc(C(C)(C)C)ccc2O)cc1
InChIInChI=1S/C18H22O2/c1-18(2,3)15-7-10-17(19)14(12-15)11-13-5-8-16(20-4)9-6-13/h5-10,12,19H,11H2,1-4H3
InChIKeyFLVWQYLESDBDEI-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.29
Rot. Bonds3

About 4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol

4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol (PubChem CID 150183157) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol
PubChem CID150183157
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol
SMILESCOc1ccc(Cc2cc(C(C)(C)C)ccc2O)cc1
InChIInChI=1S/C18H22O2/c1-18(2,3)15-7-10-17(19)14(12-15)11-13-5-8-16(20-4)9-6-13/h5-10,12,19H,11H2,1-4H3
InChIKeyFLVWQYLESDBDEI-UHFFFAOYSA-N
XLogP4.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298
4-butyl-2-[(4-methoxyphenyl)methyl]phenol
CID 174629007
4-tert-butyl-2-(4-methoxyanilino)phenol
CID 50924521
4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol
CID 15322598
2-(hydroxymethyl)-4-[2-(4-methoxyphenyl)ethyl]phenol
CID 70230717
2-[(5-tert-butyl-2-hydroxyphenyl)methyl]-4-[[3-[(5-tert-butyl-2-hydroxyphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-6-methylphenol
CID 68895070
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol
CID 159191921
4-tert-butyl-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methane
CID 161337018
1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
CID 175327763
4-tert-butyl-2-[(hydroxyamino)methyl]phenol
CID 117285539
2-(2-amino-2-methylpropyl)-4-tert-butylphenol
CID 117317076

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol?
The IUPAC name of 4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol (CID 150183157) is 4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol.
What is the SMILES notation for 4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol?
The canonical SMILES for 4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol is COc1ccc(Cc2cc(C(C)(C)C)ccc2O)cc1.
What is the InChIKey of 4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol?
The InChIKey is FLVWQYLESDBDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-18(2,3)15-7-10-17(19)14(12-15)11-13-5-8-16(20-4)9-6-13/h5-10,12,19H,11H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol?
4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol has a molecular weight of 270.37 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol is sourced from PubChem (CID 150183157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).