(3-methoxy-2,2-dimethylpropoxy)benzene

C12H18O2 — CID 141306670

IUPAC(3-methoxy-2,2-dimethylpropoxy)benzene
SMILESCOCC(C)(C)COc1ccccc1
InChIInChI=1S/C12H18O2/c1-12(2,9-13-3)10-14-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyYVYYJTYIZYRHQW-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.74
Rot. Bonds5

About (3-methoxy-2,2-dimethylpropoxy)benzene

(3-methoxy-2,2-dimethylpropoxy)benzene (PubChem CID 141306670) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (3-methoxy-2,2-dimethylpropoxy)benzene.

Molecular Properties

Compound Name(3-methoxy-2,2-dimethylpropoxy)benzene
PubChem CID141306670
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(3-methoxy-2,2-dimethylpropoxy)benzene
SMILESCOCC(C)(C)COc1ccccc1
InChIInChI=1S/C12H18O2/c1-12(2,9-13-3)10-14-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyYVYYJTYIZYRHQW-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-methoxy-2,2-dimethylpropoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,4,4-tetramethylpentoxybenzene
CID 70425921
3,3-dimethyl-4-phenoxybutan-1-amine
CID 115019571
2,2-difluoropropoxybenzene
CID 10997493
1-(3-bromo-2,2-dimethylpropoxy)-4-phenylbenzene
CID 64995461
2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine
CID 79018967
2,2-dimethyl-3-phenoxypropanoyl chloride
CID 82040727
2,3-dimethyl-1-phenoxybutan-2-ol
CID 114447731
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
4-methoxy-N-[4-[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]-2,2-dimethylpropoxy]phenyl]-N-(4-methoxyphenyl)aniline
CID 139670226
2-methyl-2-(phenoxymethyl)butan-1-ol
CID 86182983
1-[2,2-dimethyl-3-[4-(4-methylphenoxy)phenoxy]propoxy]-4-(4-methylphenoxy)benzene
CID 68643436
1-(2,2-dimethylbutoxy)-4-methoxybenzene
CID 70980088

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2,2-dimethylpropoxy)benzene?
The IUPAC name of (3-methoxy-2,2-dimethylpropoxy)benzene (CID 141306670) is (3-methoxy-2,2-dimethylpropoxy)benzene.
What is the SMILES notation for (3-methoxy-2,2-dimethylpropoxy)benzene?
The canonical SMILES for (3-methoxy-2,2-dimethylpropoxy)benzene is COCC(C)(C)COc1ccccc1.
What is the InChIKey of (3-methoxy-2,2-dimethylpropoxy)benzene?
The InChIKey is YVYYJTYIZYRHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-12(2,9-13-3)10-14-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3.
What are the key properties of (3-methoxy-2,2-dimethylpropoxy)benzene?
(3-methoxy-2,2-dimethylpropoxy)benzene has a molecular weight of 194.27 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2,2-dimethylpropoxy)benzene is sourced from PubChem (CID 141306670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).