3-methyl-1-(3-phenoxyphenyl)butan-1-ol

C17H20O2 — CID 63893717

IUPAC3-methyl-1-(3-phenoxyphenyl)butan-1-ol
SMILESCC(C)CC(O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H20O2/c1-13(2)11-17(18)14-7-6-10-16(12-14)19-15-8-4-3-5-9-15/h3-10,12-13,17-18H,11H2,1-2H3
InChIKeyBJZKFBKLSMCEJT-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.56
Rot. Bonds5

About 3-methyl-1-(3-phenoxyphenyl)butan-1-ol

3-methyl-1-(3-phenoxyphenyl)butan-1-ol (PubChem CID 63893717) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-methyl-1-(3-phenoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(3-phenoxyphenyl)butan-1-ol
PubChem CID63893717
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name3-methyl-1-(3-phenoxyphenyl)butan-1-ol
SMILESCC(C)CC(O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H20O2/c1-13(2)11-17(18)14-7-6-10-16(12-14)19-15-8-4-3-5-9-15/h3-10,12-13,17-18H,11H2,1-2H3
InChIKeyBJZKFBKLSMCEJT-UHFFFAOYSA-N
XLogP4.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-(3-phenoxyphenyl)butan-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

1-(3-phenoxyphenyl)ethanol
CID 12882419
(1S)-3-methyl-1-(3-phenoxyphenyl)butan-1-amine;hydrochloride
CID 171220068
1-(2-bromo-5-phenoxyphenyl)-3-methylbutan-1-ol
CID 83988700
(2S,3R,4S)-4-(3-phenoxyphenyl)pentane-2,3-diol
CID 135050581
(1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol
CID 171266953
(1R,2S)-1-amino-5-methyl-1-(3-phenoxyphenyl)hexan-2-ol
CID 171261271
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
2-[2-(dimethylamino)ethoxy]-1-(3-phenoxyphenyl)ethanol;hydrochloride
CID 3076591
1-(3-phenoxyphenyl)-2-thiophen-3-ylethanol
CID 65148023
2-(3-phenoxyphenyl)butanoic acid
CID 69314878
1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol
CID 105076156
(2S)-2-(3-phenoxyphenyl)propanenitrile
CID 90362403

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-phenoxyphenyl)butan-1-ol?
The IUPAC name of 3-methyl-1-(3-phenoxyphenyl)butan-1-ol (CID 63893717) is 3-methyl-1-(3-phenoxyphenyl)butan-1-ol.
What is the SMILES notation for 3-methyl-1-(3-phenoxyphenyl)butan-1-ol?
The canonical SMILES for 3-methyl-1-(3-phenoxyphenyl)butan-1-ol is CC(C)CC(O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-methyl-1-(3-phenoxyphenyl)butan-1-ol?
The InChIKey is BJZKFBKLSMCEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-13(2)11-17(18)14-7-6-10-16(12-14)19-15-8-4-3-5-9-15/h3-10,12-13,17-18H,11H2,1-2H3.
What are the key properties of 3-methyl-1-(3-phenoxyphenyl)butan-1-ol?
3-methyl-1-(3-phenoxyphenyl)butan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-phenoxyphenyl)butan-1-ol is sourced from PubChem (CID 63893717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).