1-(cyclopropylmethyl)-2,4-dimethylbenzene

C12H16 — CID 156717993

IUPAC1-(cyclopropylmethyl)-2,4-dimethylbenzene
SMILESCc1ccc(CC2CC2)c(C)c1
InChIInChI=1S/C12H16/c1-9-3-6-12(10(2)7-9)8-11-4-5-11/h3,6-7,11H,4-5,8H2,1-2H3
InChIKeyUANPSMRGCBXHRJ-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.26
Rot. Bonds2

About 1-(cyclopropylmethyl)-2,4-dimethylbenzene

1-(cyclopropylmethyl)-2,4-dimethylbenzene (PubChem CID 156717993) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2,4-dimethylbenzene
PubChem CID156717993
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1-(cyclopropylmethyl)-2,4-dimethylbenzene
SMILESCc1ccc(CC2CC2)c(C)c1
InChIInChI=1S/C12H16/c1-9-3-6-12(10(2)7-9)8-11-4-5-11/h3,6-7,11H,4-5,8H2,1-2H3
InChIKeyUANPSMRGCBXHRJ-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(cyclopropylmethyl)-2,4-dimethylbenzene 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

3-[(2,4-dimethylphenyl)methyl]azetidine
CID 16780033
4-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 116928416
1,6-dimethyl-4-[(4-methylcyclohexyl)methyl]naphthalene
CID 123270650
1,4-bis(cyclohexylmethyl)-2-methylbenzene
CID 154475769
3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine
CID 163262685
2-(cycloheptylmethyl)-5-methylaniline
CID 105471815
2-[(2,4-dimethylphenyl)methyl]-5-methylpiperidine
CID 81318671
4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 115213466
3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 82285679
1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene
CID 59821631
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2,4-dimethylbenzene?
The IUPAC name of 1-(cyclopropylmethyl)-2,4-dimethylbenzene (CID 156717993) is 1-(cyclopropylmethyl)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(cyclopropylmethyl)-2,4-dimethylbenzene?
The canonical SMILES for 1-(cyclopropylmethyl)-2,4-dimethylbenzene is Cc1ccc(CC2CC2)c(C)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-2,4-dimethylbenzene?
The InChIKey is UANPSMRGCBXHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-9-3-6-12(10(2)7-9)8-11-4-5-11/h3,6-7,11H,4-5,8H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-2,4-dimethylbenzene?
1-(cyclopropylmethyl)-2,4-dimethylbenzene has a molecular weight of 160.26 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2,4-dimethylbenzene is sourced from PubChem (CID 156717993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).