1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol

C17H20O3 — CID 116757004

IUPAC1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol
SMILESCOc1cccc(CC(O)C(OC)c2ccccc2)c1
InChIInChI=1S/C17H20O3/c1-19-15-10-6-7-13(11-15)12-16(18)17(20-2)14-8-4-3-5-9-14/h3-11,16-18H,12H2,1-2H3
InChIKeyIZJKDVDFPUAFKX-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.99
Rot. Bonds6

About 1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol

1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol (PubChem CID 116757004) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol
PubChem CID116757004
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol
SMILESCOc1cccc(CC(O)C(OC)c2ccccc2)c1
InChIInChI=1S/C17H20O3/c1-19-15-10-6-7-13(11-15)12-16(18)17(20-2)14-8-4-3-5-9-14/h3-11,16-18H,12H2,1-2H3
InChIKeyIZJKDVDFPUAFKX-UHFFFAOYSA-N
XLogP2.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116757000
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
3-methoxy-1-(3-methoxyphenyl)hexan-2-ol
CID 116711612
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240
5-(3-methoxyphenyl)-4-methylpentan-2-ol
CID 64721891
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
3-(2,6-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 114931735
1-methoxy-1-phenylbutan-2-ol
CID 116756893
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol?
The IUPAC name of 1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol (CID 116757004) is 1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol.
What is the SMILES notation for 1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol?
The canonical SMILES for 1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol is COc1cccc(CC(O)C(OC)c2ccccc2)c1.
What is the InChIKey of 1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol?
The InChIKey is IZJKDVDFPUAFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-19-15-10-6-7-13(11-15)12-16(18)17(20-2)14-8-4-3-5-9-14/h3-11,16-18H,12H2,1-2H3.
What are the key properties of 1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol?
1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol has a molecular weight of 272.34 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol is sourced from PubChem (CID 116757004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).