(1R)-3,3-dimethoxy-1-phenylpropan-1-ol

C11H16O3 — CID 11687059

IUPAC(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
SMILESCOC(C[C@@H](O)c1ccccc1)OC
InChIInChI=1S/C11H16O3/c1-13-11(14-2)8-10(12)9-6-4-3-5-7-9/h3-7,10-12H,8H2,1-2H3/t10-/m1/s1
InChIKeyCVLDBSJNMSOCLT-SNVBAGLBSA-N
MW196.25 g/mol
LogP1.73
Rot. Bonds5

About (1R)-3,3-dimethoxy-1-phenylpropan-1-ol

(1R)-3,3-dimethoxy-1-phenylpropan-1-ol (PubChem CID 11687059) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (1R)-3,3-dimethoxy-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
PubChem CID11687059
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
SMILESCOC(C[C@@H](O)c1ccccc1)OC
InChIInChI=1S/C11H16O3/c1-13-11(14-2)8-10(12)9-6-4-3-5-7-9/h3-7,10-12H,8H2,1-2H3/t10-/m1/s1
InChIKeyCVLDBSJNMSOCLT-SNVBAGLBSA-N
XLogP1.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol
CID 11572126
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
(1R,3S,4R)-3-methyl-1-phenylpentane-1,4-diol
CID 134976119
tetrakis(1,3-diphenylpropane-1,3-diol);titanium;dihydrate
CID 168793676
benzene;2-methoxy-1-phenylethanol
CID 174622919
1-phenyl-2-trimethoxysilylethanol
CID 67153670
3-amino-4-methoxy-1-phenylbutan-1-ol
CID 112704167
4-hydroxy-1,1-dimethoxy-4-phenylbutan-2-one
CID 101201301
4-hydroxy-2-methoxycarbonyl-4-phenylbutanoic acid
CID 103973363
2-amino-1-phenylethanol;ethane
CID 91425169
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
4,4-dimethyl-1-phenylpentane-1,3-diol
CID 14869149

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3-dimethoxy-1-phenylpropan-1-ol?
The IUPAC name of (1R)-3,3-dimethoxy-1-phenylpropan-1-ol (CID 11687059) is (1R)-3,3-dimethoxy-1-phenylpropan-1-ol.
What is the SMILES notation for (1R)-3,3-dimethoxy-1-phenylpropan-1-ol?
The canonical SMILES for (1R)-3,3-dimethoxy-1-phenylpropan-1-ol is COC(C[C@@H](O)c1ccccc1)OC.
What is the InChIKey of (1R)-3,3-dimethoxy-1-phenylpropan-1-ol?
The InChIKey is CVLDBSJNMSOCLT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16O3/c1-13-11(14-2)8-10(12)9-6-4-3-5-7-9/h3-7,10-12H,8H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-3,3-dimethoxy-1-phenylpropan-1-ol?
(1R)-3,3-dimethoxy-1-phenylpropan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3-dimethoxy-1-phenylpropan-1-ol is sourced from PubChem (CID 11687059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).