3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol

C18H22O2 — CID 116757000

IUPAC3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol
SMILESCOC(c1ccccc1)C(O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C18H22O2/c1-13-9-14(2)11-15(10-13)12-17(19)18(20-3)16-7-5-4-6-8-16/h4-11,17-19H,12H2,1-3H3
InChIKeyYKJVPNWKWSBHCM-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.59
Rot. Bonds5

About 3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol

3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol (PubChem CID 116757000) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol
PubChem CID116757000
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol
SMILESCOC(c1ccccc1)C(O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C18H22O2/c1-13-9-14(2)11-15(10-13)12-17(19)18(20-3)16-7-5-4-6-8-16/h4-11,17-19H,12H2,1-3H3
InChIKeyYKJVPNWKWSBHCM-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 116757004
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
1-methoxy-1-phenylbutan-2-ol
CID 116756893
3-(2,6-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 114931735
3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116756862
3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol
CID 116756868
1-(3,5-dimethylphenyl)-2-methoxy-2-phenylethanamine
CID 116772917
1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol
CID 116756883
1-methoxy-6-methyl-1-phenylheptan-2-ol
CID 116756994
3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-ol
CID 116756796
3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol
CID 116756762
1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol
CID 106695951

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol?
The IUPAC name of 3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol (CID 116757000) is 3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol?
The canonical SMILES for 3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol is COC(c1ccccc1)C(O)Cc1cc(C)cc(C)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol?
The InChIKey is YKJVPNWKWSBHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-13-9-14(2)11-15(10-13)12-17(19)18(20-3)16-7-5-4-6-8-16/h4-11,17-19H,12H2,1-3H3.
What are the key properties of 3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol?
3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol has a molecular weight of 270.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol is sourced from PubChem (CID 116757000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).