1-(3,3-dimethylbutyl)-2-methoxybenzene

C13H20O — CID 15437580

IUPAC1-(3,3-dimethylbutyl)-2-methoxybenzene
SMILESCOc1ccccc1CCC(C)(C)C
InChIInChI=1S/C13H20O/c1-13(2,3)10-9-11-7-5-6-8-12(11)14-4/h5-8H,9-10H2,1-4H3
InChIKeyAKEDRLDREZDQDA-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.67
Rot. Bonds3

About 1-(3,3-dimethylbutyl)-2-methoxybenzene

1-(3,3-dimethylbutyl)-2-methoxybenzene (PubChem CID 15437580) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-2-methoxybenzene
PubChem CID15437580
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-(3,3-dimethylbutyl)-2-methoxybenzene
SMILESCOc1ccccc1CCC(C)(C)C
InChIInChI=1S/C13H20O/c1-13(2,3)10-9-11-7-5-6-8-12(11)14-4/h5-8H,9-10H2,1-4H3
InChIKeyAKEDRLDREZDQDA-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3,3-dimethylbutyl)-2-methoxybenzene 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

1-methoxy-2-(3,3,3-trifluoropropyl)benzene
CID 162553251
1-(3,3-dimethylbutyl)-2-ethyl-3-methoxybenzene
CID 142992772
1-(3,3-dimethylbutyl)-2-phenoxybenzene
CID 158619324
5-(2-methoxyphenyl)-3-methylpent-1-en-3-ol
CID 10104442
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene
CID 175444939
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
2-[[4-(2-methoxyphenyl)-2-methylbutan-2-yl]amino]-2-oxoacetic acid
CID 94694724
1-N-[2-(2-methoxyphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222479
[3-(2-methoxyphenyl)-1,1-diphenylpropyl]hydrazine
CID 22405920
1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine
CID 62601026

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-2-methoxybenzene?
The IUPAC name of 1-(3,3-dimethylbutyl)-2-methoxybenzene (CID 15437580) is 1-(3,3-dimethylbutyl)-2-methoxybenzene.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-2-methoxybenzene?
The canonical SMILES for 1-(3,3-dimethylbutyl)-2-methoxybenzene is COc1ccccc1CCC(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutyl)-2-methoxybenzene?
The InChIKey is AKEDRLDREZDQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-13(2,3)10-9-11-7-5-6-8-12(11)14-4/h5-8H,9-10H2,1-4H3.
What are the key properties of 1-(3,3-dimethylbutyl)-2-methoxybenzene?
1-(3,3-dimethylbutyl)-2-methoxybenzene has a molecular weight of 192.30 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-2-methoxybenzene is sourced from PubChem (CID 15437580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).