2-chloro-1-methyl-3-propylbenzene;formaldehyde

C11H15ClO — CID 177230855

IUPAC2-chloro-1-methyl-3-propylbenzene;formaldehyde
SMILESC=O.CCCc1cccc(C)c1Cl
InChIInChI=1S/C10H13Cl.CH2O/c1-3-5-9-7-4-6-8(2)10(9)11;1-2/h4,6-7H,3,5H2,1-2H3;1H2
InChIKeyIOGXKDACGIFABQ-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.42
Rot. Bonds2

About 2-chloro-1-methyl-3-propylbenzene;formaldehyde

2-chloro-1-methyl-3-propylbenzene;formaldehyde (PubChem CID 177230855) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 2-chloro-1-methyl-3-propylbenzene;formaldehyde.

Molecular Properties

Compound Name2-chloro-1-methyl-3-propylbenzene;formaldehyde
PubChem CID177230855
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name2-chloro-1-methyl-3-propylbenzene;formaldehyde
SMILESC=O.CCCc1cccc(C)c1Cl
InChIInChI=1S/C10H13Cl.CH2O/c1-3-5-9-7-4-6-8(2)10(9)11;1-2/h4,6-7H,3,5H2,1-2H3;1H2
InChIKeyIOGXKDACGIFABQ-UHFFFAOYSA-N
XLogP3.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-chloro-1-methyl-3-propylbenzene;formaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-3-propylbenzene;formaldehyde?
The IUPAC name of 2-chloro-1-methyl-3-propylbenzene;formaldehyde (CID 177230855) is 2-chloro-1-methyl-3-propylbenzene;formaldehyde.
What is the SMILES notation for 2-chloro-1-methyl-3-propylbenzene;formaldehyde?
The canonical SMILES for 2-chloro-1-methyl-3-propylbenzene;formaldehyde is C=O.CCCc1cccc(C)c1Cl.
What is the InChIKey of 2-chloro-1-methyl-3-propylbenzene;formaldehyde?
The InChIKey is IOGXKDACGIFABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl.CH2O/c1-3-5-9-7-4-6-8(2)10(9)11;1-2/h4,6-7H,3,5H2,1-2H3;1H2.
What are the key properties of 2-chloro-1-methyl-3-propylbenzene;formaldehyde?
2-chloro-1-methyl-3-propylbenzene;formaldehyde has a molecular weight of 198.69 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-3-propylbenzene;formaldehyde is sourced from PubChem (CID 177230855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).