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

C18H22O2 — CID 174629007

IUPAC4-butyl-2-[(4-methoxyphenyl)methyl]phenol
SMILESCCCCc1ccc(O)c(Cc2ccc(OC)cc2)c1
InChIInChI=1S/C18H22O2/c1-3-4-5-14-8-11-18(19)16(12-14)13-15-6-9-17(20-2)10-7-15/h6-12,19H,3-5,13H2,1-2H3
InChIKeyRJWUJUUURCJOMD-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.33
Rot. Bonds6

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

4-butyl-2-[(4-methoxyphenyl)methyl]phenol (PubChem CID 174629007) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-butyl-2-[(4-methoxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-butyl-2-[(4-methoxyphenyl)methyl]phenol
PubChem CID174629007
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name4-butyl-2-[(4-methoxyphenyl)methyl]phenol
SMILESCCCCc1ccc(O)c(Cc2ccc(OC)cc2)c1
InChIInChI=1S/C18H22O2/c1-3-4-5-14-8-11-18(19)16(12-14)13-15-6-9-17(20-2)10-7-15/h6-12,19H,3-5,13H2,1-2H3
InChIKeyRJWUJUUURCJOMD-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298
4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol
CID 150183157
2-(hydroxymethyl)-4-[2-(4-methoxyphenyl)ethyl]phenol
CID 70230717
2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol
CID 121386327
4-nonyl-2-pentylphenol
CID 86162849
2-ethyl-4-heptylphenol
CID 58289223
2-butyl-4-(4-methoxyphenyl)sulfonylphenol
CID 19967682
2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone
CID 86085296
1-[(5-butyl-2-hydroxyphenyl)methyl-(1,1-dihydroxyethyl)amino]ethane-1,1-diol
CID 101326347
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136
1,2-dibutyl-4-methoxybenzene
CID 153315966
4-butyl-2-methylphenol
CID 10964856

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-[(4-methoxyphenyl)methyl]phenol?
The IUPAC name of 4-butyl-2-[(4-methoxyphenyl)methyl]phenol (CID 174629007) is 4-butyl-2-[(4-methoxyphenyl)methyl]phenol.
What is the SMILES notation for 4-butyl-2-[(4-methoxyphenyl)methyl]phenol?
The canonical SMILES for 4-butyl-2-[(4-methoxyphenyl)methyl]phenol is CCCCc1ccc(O)c(Cc2ccc(OC)cc2)c1.
What is the InChIKey of 4-butyl-2-[(4-methoxyphenyl)methyl]phenol?
The InChIKey is RJWUJUUURCJOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-3-4-5-14-8-11-18(19)16(12-14)13-15-6-9-17(20-2)10-7-15/h6-12,19H,3-5,13H2,1-2H3.
What are the key properties of 4-butyl-2-[(4-methoxyphenyl)methyl]phenol?
4-butyl-2-[(4-methoxyphenyl)methyl]phenol has a molecular weight of 270.37 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-[(4-methoxyphenyl)methyl]phenol is sourced from PubChem (CID 174629007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).