1-[4-[4-(1-hydroxy-2-methylpropyl)phenoxy]phenyl]-2-methylpropan-1-ol

C20H26O3 — CID 70467453

IUPAC1-[4-[4-(1-hydroxy-2-methylpropyl)phenoxy]phenyl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ccc(Oc2ccc(C(O)C(C)C)cc2)cc1
InChIInChI=1S/C20H26O3/c1-13(2)19(21)15-5-9-17(10-6-15)23-18-11-7-16(8-12-18)20(22)14(3)4/h5-14,19-22H,1-4H3
InChIKeyGYADUTNWKIDWHX-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.86
Rot. Bonds6

About 1-[4-[4-(1-hydroxy-2-methylpropyl)phenoxy]phenyl]-2-methylpropan-1-ol

1-[4-[4-(1-hydroxy-2-methylpropyl)phenoxy]phenyl]-2-methylpropan-1-ol (PubChem CID 70467453) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[4-[4-(1-hydroxy-2-methylpropyl)phenoxy]phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[4-[4-(1-hydroxy-2-methylpropyl)phenoxy]phenyl]-2-methylpropan-1-ol
PubChem CID70467453
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name1-[4-[4-(1-hydroxy-2-methylpropyl)phenoxy]phenyl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ccc(Oc2ccc(C(O)C(C)C)cc2)cc1
InChIInChI=1S/C20H26O3/c1-13(2)19(21)15-5-9-17(10-6-15)23-18-11-7-16(8-12-18)20(22)14(3)4/h5-14,19-22H,1-4H3
InChIKeyGYADUTNWKIDWHX-UHFFFAOYSA-N
XLogP4.86
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[4-(1-hydroxy-2-methylpropyl)phenoxy]phenyl]-2-methylpropan-1-ol 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

2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
CID 22486849
1-[4-[4-(1-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-1-ol
CID 154573668
2-methyl-1-(4-sulfanylphenyl)propan-1-ol
CID 123891512
(1S)-1-[4-(4-methoxyphenoxy)phenyl]ethanol
CID 63372514
1-(1-bromoethyl)-4-[4-(1-bromoethyl)phenoxy]benzene
CID 21417768
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
(1R,2S)-1-amino-3-methyl-1-(4-phenoxyphenyl)butan-2-ol;hydrochloride
CID 171263705
(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol
CID 78941782
1-[5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxyphenyl]-2-methylpropan-1-ol
CID 24800824
(1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol
CID 122372141
(3R,4R)-4-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 129403910
2-methyl-1-phenylpropan-1-ol;uranium
CID 59298773

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1-hydroxy-2-methylpropyl)phenoxy]phenyl]-2-methylpropan-1-ol?
The IUPAC name of 1-[4-[4-(1-hydroxy-2-methylpropyl)phenoxy]phenyl]-2-methylpropan-1-ol (CID 70467453) is 1-[4-[4-(1-hydroxy-2-methylpropyl)phenoxy]phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[4-[4-(1-hydroxy-2-methylpropyl)phenoxy]phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[4-[4-(1-hydroxy-2-methylpropyl)phenoxy]phenyl]-2-methylpropan-1-ol is CC(C)C(O)c1ccc(Oc2ccc(C(O)C(C)C)cc2)cc1.
What is the InChIKey of 1-[4-[4-(1-hydroxy-2-methylpropyl)phenoxy]phenyl]-2-methylpropan-1-ol?
The InChIKey is GYADUTNWKIDWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-13(2)19(21)15-5-9-17(10-6-15)23-18-11-7-16(8-12-18)20(22)14(3)4/h5-14,19-22H,1-4H3.
What are the key properties of 1-[4-[4-(1-hydroxy-2-methylpropyl)phenoxy]phenyl]-2-methylpropan-1-ol?
1-[4-[4-(1-hydroxy-2-methylpropyl)phenoxy]phenyl]-2-methylpropan-1-ol has a molecular weight of 314.43 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1-hydroxy-2-methylpropyl)phenoxy]phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 70467453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).