1,1,2-trimethoxypropan-2-ylbenzene

C12H18O3 — CID 14068454

IUPAC1,1,2-trimethoxypropan-2-ylbenzene
SMILESCOC(OC)C(C)(OC)c1ccccc1
InChIInChI=1S/C12H18O3/c1-12(15-4,11(13-2)14-3)10-8-6-5-7-9-10/h5-9,11H,1-4H3
InChIKeyNUCZXZBYACHCFE-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.17
Rot. Bonds5

About 1,1,2-trimethoxypropan-2-ylbenzene

1,1,2-trimethoxypropan-2-ylbenzene (PubChem CID 14068454) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1,1,2-trimethoxypropan-2-ylbenzene.

Molecular Properties

Compound Name1,1,2-trimethoxypropan-2-ylbenzene
PubChem CID14068454
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1,1,2-trimethoxypropan-2-ylbenzene
SMILESCOC(OC)C(C)(OC)c1ccccc1
InChIInChI=1S/C12H18O3/c1-12(15-4,11(13-2)14-3)10-8-6-5-7-9-10/h5-9,11H,1-4H3
InChIKeyNUCZXZBYACHCFE-UHFFFAOYSA-N
XLogP2.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
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

(2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol
CID 101412286
(2-bromo-1,1-dimethoxypropan-2-yl)benzene
CID 15889455
3,3-dimethoxy-2-phenylpropane-1,2-diol
CID 91279250
(1-fluoro-1-methoxyethyl)benzene
CID 89466800
(1S)-1-methoxy-1-phenylethanol
CID 141414609
3-methoxy-2,2-dimethyl-3-trityloxypropanoic acid
CID 141332550
[2-(4,4-dimethyl-2-phenyl-3-propan-2-ylpentan-2-yl)peroxy-4,4-dimethyl-3-propan-2-ylpentan-2-yl]benzene
CID 141207627
(2,2-dichloro-1,1-dimethoxyethyl)benzene
CID 11356770
(2S,3S)-1,1-dimethoxy-2-methyl-2,5-diphenylpentan-3-ol
CID 101441637
(1-methoxy-1-methylselanylethyl)benzene
CID 11831206
(4-iodo-4,4-dimethoxy-2,3-dimethylbutan-2-yl)benzene
CID 174222430
3-methoxy-2-methyl-2-phenylbutane-1,1,1-triol
CID 175119768

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethoxypropan-2-ylbenzene?
The IUPAC name of 1,1,2-trimethoxypropan-2-ylbenzene (CID 14068454) is 1,1,2-trimethoxypropan-2-ylbenzene.
What is the SMILES notation for 1,1,2-trimethoxypropan-2-ylbenzene?
The canonical SMILES for 1,1,2-trimethoxypropan-2-ylbenzene is COC(OC)C(C)(OC)c1ccccc1.
What is the InChIKey of 1,1,2-trimethoxypropan-2-ylbenzene?
The InChIKey is NUCZXZBYACHCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-12(15-4,11(13-2)14-3)10-8-6-5-7-9-10/h5-9,11H,1-4H3.
What are the key properties of 1,1,2-trimethoxypropan-2-ylbenzene?
1,1,2-trimethoxypropan-2-ylbenzene has a molecular weight of 210.27 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethoxypropan-2-ylbenzene is sourced from PubChem (CID 14068454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).