(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol

C11H16O3 — CID 873110

IUPAC(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
SMILESCC[C@@H](O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C11H16O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5-7,9,12H,4H2,1-3H3/t9-/m1/s1
InChIKeyNMYXSFKGIICIIM-SECBINFHSA-N
MW196.25 g/mol
LogP2.15
Rot. Bonds4

About (1R)-1-(3,4-dimethoxyphenyl)propan-1-ol

(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol (PubChem CID 873110) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (1R)-1-(3,4-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
PubChem CID873110
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
SMILESCC[C@@H](O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C11H16O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5-7,9,12H,4H2,1-3H3/t9-/m1/s1
InChIKeyNMYXSFKGIICIIM-SECBINFHSA-N
XLogP2.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol
CID 83952575
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
(1S)-1-(3,4-dimethoxyphenyl)propane-1,3-diol
CID 92978371
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 58450006
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61099857
1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-ol
CID 66044092
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 11042831
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dimethoxyphenyl)propan-1-ol?
The IUPAC name of (1R)-1-(3,4-dimethoxyphenyl)propan-1-ol (CID 873110) is (1R)-1-(3,4-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for (1R)-1-(3,4-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for (1R)-1-(3,4-dimethoxyphenyl)propan-1-ol is CC[C@@H](O)c1ccc(OC)c(OC)c1.
What is the InChIKey of (1R)-1-(3,4-dimethoxyphenyl)propan-1-ol?
The InChIKey is NMYXSFKGIICIIM-SECBINFHSA-N. The full InChI is InChI=1S/C11H16O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5-7,9,12H,4H2,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-(3,4-dimethoxyphenyl)propan-1-ol?
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 873110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).