1-methoxy-4-methylbenzene;propane

C11H18O — CID 142064987

IUPAC1-methoxy-4-methylbenzene;propane
SMILESCCC.COc1ccc(C)cc1
InChIInChI=1S/C8H10O.C3H8/c1-7-3-5-8(9-2)6-4-7;1-3-2/h3-6H,1-2H3;3H2,1-2H3
InChIKeyLVLPGNQQCSKGDU-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.42
Rot. Bonds1

About 1-methoxy-4-methylbenzene;propane

1-methoxy-4-methylbenzene;propane (PubChem CID 142064987) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-methoxy-4-methylbenzene;propane.

Molecular Properties

Compound Name1-methoxy-4-methylbenzene;propane
PubChem CID142064987
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-methoxy-4-methylbenzene;propane
SMILESCCC.COc1ccc(C)cc1
InChIInChI=1S/C8H10O.C3H8/c1-7-3-5-8(9-2)6-4-7;1-3-2/h3-6H,1-2H3;3H2,1-2H3
InChIKeyLVLPGNQQCSKGDU-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methoxy-4-methylbenzene;propane 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-(113C)methoxy-4-methylbenzene
CID 166176950
methane;1-methoxy-4-methylbenzene;propane;1,2-xylene
CID 158575939
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
N,N-diethylethanamine;1-methoxy-4-methylbenzene
CID 90934747
1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
CID 157430816
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
(Z)-but-2-ene;1-methoxy-4-methylbenzene
CID 143799535
1-methoxy-4-methylbenzene tritetrafluoroborate
CID 175186018
4-methoxyphenol;4-methylphenol
CID 158312507
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methylbenzene;propane?
The IUPAC name of 1-methoxy-4-methylbenzene;propane (CID 142064987) is 1-methoxy-4-methylbenzene;propane.
What is the SMILES notation for 1-methoxy-4-methylbenzene;propane?
The canonical SMILES for 1-methoxy-4-methylbenzene;propane is CCC.COc1ccc(C)cc1.
What is the InChIKey of 1-methoxy-4-methylbenzene;propane?
The InChIKey is LVLPGNQQCSKGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C3H8/c1-7-3-5-8(9-2)6-4-7;1-3-2/h3-6H,1-2H3;3H2,1-2H3.
What are the key properties of 1-methoxy-4-methylbenzene;propane?
1-methoxy-4-methylbenzene;propane has a molecular weight of 166.26 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methylbenzene;propane is sourced from PubChem (CID 142064987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).