1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol

C18H22O3 — CID 115791096

IUPAC1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol
SMILESCOc1cccc(OC)c1C(O)CCCc1ccccc1
InChIInChI=1S/C18H22O3/c1-20-16-12-7-13-17(21-2)18(16)15(19)11-6-10-14-8-4-3-5-9-14/h3-5,7-9,12-13,15,19H,6,10-11H2,1-2H3
InChIKeyADPRXJOCURVFEF-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.76
Rot. Bonds7

About 1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol

1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol (PubChem CID 115791096) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol
PubChem CID115791096
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol
SMILESCOc1cccc(OC)c1C(O)CCCc1ccccc1
InChIInChI=1S/C18H22O3/c1-20-16-12-7-13-17(21-2)18(16)15(19)11-6-10-14-8-4-3-5-9-14/h3-5,7-9,12-13,15,19H,6,10-11H2,1-2H3
InChIKeyADPRXJOCURVFEF-UHFFFAOYSA-N
XLogP3.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dimethoxyphenyl)-4-phenylbutan-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-(2-methoxyphenyl)-5-phenylpentan-2-ol
CID 62606153
1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol
CID 105111101
1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol
CID 115791105
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
3-[2-(2,6-dimethoxyphenyl)-5-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 162786028
2-methoxy-2-methyl-6-phenylhexan-3-ol
CID 79197404
1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 116810226
1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol
CID 115803647
4-(2-methoxyphenyl)-1-phenylbutan-1-ol
CID 64513742
2-methoxy-6-(5-phenylpentyl)benzoic acid
CID 46735473
(2R)-5-phenylpentane-1,2-diol
CID 102483629
1-methoxy-2,3-bis(3-phenylpropyl)benzene
CID 57054570

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol (CID 115791096) is 1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol is COc1cccc(OC)c1C(O)CCCc1ccccc1.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol?
The InChIKey is ADPRXJOCURVFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-20-16-12-7-13-17(21-2)18(16)15(19)11-6-10-14-8-4-3-5-9-14/h3-5,7-9,12-13,15,19H,6,10-11H2,1-2H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol?
1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol has a molecular weight of 286.37 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol is sourced from PubChem (CID 115791096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).