(1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol

C12H18O4 — CID 11572126

IUPAC(1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc([C@H](O)CC(OC)OC)cc1
InChIInChI=1S/C12H18O4/c1-14-10-6-4-9(5-7-10)11(13)8-12(15-2)16-3/h4-7,11-13H,8H2,1-3H3/t11-/m1/s1
InChIKeyMKTMUCDQQVQYLB-LLVKDONJSA-N
MW226.27 g/mol
LogP1.74
Rot. Bonds6

About (1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol

(1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol (PubChem CID 11572126) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is (1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol
PubChem CID11572126
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name(1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc([C@H](O)CC(OC)OC)cc1
InChIInChI=1S/C12H18O4/c1-14-10-6-4-9(5-7-10)11(13)8-12(15-2)16-3/h4-7,11-13H,8H2,1-3H3/t11-/m1/s1
InChIKeyMKTMUCDQQVQYLB-LLVKDONJSA-N
XLogP1.74
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R,3S)-1-(4-methoxyphenyl)butane-1,3-diol
CID 101493823
(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
CID 11687059
3-ethyl-1-(4-methoxyphenyl)pentan-1-ol
CID 82920608
3-amino-1-(4-methoxyphenyl)butan-1-ol
CID 81462602
1-(4-methoxyphenyl)-3,5-dimethylhexan-1-ol
CID 114200447
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
(1S,3R)-3-amino-1-(4-methoxyphenyl)butane-1,4-diol
CID 121237727
1-(4-methoxyphenyl)-3,4,4-trimethylpentan-1-ol
CID 63832253
2-chloro-1-(4-methoxyphenyl)ethanol
CID 12862876
(1R,3S)-3-amino-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-ol
CID 171236930
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of (1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol (CID 11572126) is (1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for (1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for (1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol is COc1ccc([C@H](O)CC(OC)OC)cc1.
What is the InChIKey of (1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol?
The InChIKey is MKTMUCDQQVQYLB-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18O4/c1-14-10-6-4-9(5-7-10)11(13)8-12(15-2)16-3/h4-7,11-13H,8H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol?
(1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol has a molecular weight of 226.27 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 11572126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).