4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol

C18H22O2 — CID 57159301

IUPAC4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol
SMILESCOc1ccc(C(CC(C)C)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H22O2/c1-13(2)12-18(14-4-8-16(19)9-5-14)15-6-10-17(20-3)11-7-15/h4-11,13,18-19H,12H2,1-3H3
InChIKeyMMWUPUPQKPLQFW-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.58
Rot. Bonds5

About 4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol

4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol (PubChem CID 57159301) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol
PubChem CID57159301
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol
SMILESCOc1ccc(C(CC(C)C)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H22O2/c1-13(2)12-18(14-4-8-16(19)9-5-14)15-6-10-17(20-3)11-7-15/h4-11,13,18-19H,12H2,1-3H3
InChIKeyMMWUPUPQKPLQFW-UHFFFAOYSA-N
XLogP4.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[1-(4-methoxyphenyl)-3-methylbutyl]phenyl] acetate
CID 122519114
4,4-bis(4-methoxyphenyl)butan-2-amine
CID 12821400
4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol
CID 11954178
4-[5-(4-methoxyphenyl)hexan-3-yl]phenol
CID 20681979
methane;4-methoxyphenol
CID 159494332
4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride
CID 69080735
1-(4-methoxyphenyl)-3,5-dimethylhexan-1-ol
CID 114200447
bis(4-methoxyphenol);zirconium(2+);dichloride
CID 172849740
(1S,2R)-1-amino-1-(4-methoxyphenyl)-4-methylpentan-2-ol;hydrochloride
CID 171161991
4-[1-hydroxy-2-(4-methoxyphenoxy)ethyl]phenol
CID 117244685
4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol
CID 43720375
4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol
CID 81337841

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol?
The IUPAC name of 4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol (CID 57159301) is 4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol?
The canonical SMILES for 4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol is COc1ccc(C(CC(C)C)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol?
The InChIKey is MMWUPUPQKPLQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-13(2)12-18(14-4-8-16(19)9-5-14)15-6-10-17(20-3)11-7-15/h4-11,13,18-19H,12H2,1-3H3.
What are the key properties of 4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol?
4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol has a molecular weight of 270.37 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol is sourced from PubChem (CID 57159301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).