dichloromethane;2-(2-methylphenyl)acetic acid

C10H12Cl2O2 — CID 174962889

IUPACdichloromethane;2-(2-methylphenyl)acetic acid
SMILESCc1ccccc1CC(=O)O.ClCCl
InChIInChI=1S/C9H10O2.CH2Cl2/c1-7-4-2-3-5-8(7)6-9(10)11;2-1-3/h2-5H,6H2,1H3,(H,10,11);1H2
InChIKeyYPPLNQOMYJZCKH-UHFFFAOYSA-N
MW235.11 g/mol
LogP3.04
Rot. Bonds2

About dichloromethane;2-(2-methylphenyl)acetic acid

dichloromethane;2-(2-methylphenyl)acetic acid (PubChem CID 174962889) has the molecular formula C10H12Cl2O2 and a molecular weight of 235.11 g/mol. Its IUPAC name is dichloromethane;2-(2-methylphenyl)acetic acid.

Molecular Properties

Compound Namedichloromethane;2-(2-methylphenyl)acetic acid
PubChem CID174962889
Molecular FormulaC10H12Cl2O2
Molecular Weight235.11 g/mol
Exact Mass234.02
IUPAC Namedichloromethane;2-(2-methylphenyl)acetic acid
SMILESCc1ccccc1CC(=O)O.ClCCl
InChIInChI=1S/C9H10O2.CH2Cl2/c1-7-4-2-3-5-8(7)6-9(10)11;2-1-3/h2-5H,6H2,1H3,(H,10,11);1H2
InChIKeyYPPLNQOMYJZCKH-UHFFFAOYSA-N
XLogP3.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenyl)acetic acid
CID 67440217
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476
1-(chloromethyl)-2-methylbenzene
CID 11093
2-[(2-chloroacetyl)-[(2-methylphenyl)methyl]amino]acetic acid
CID 166431920
CID 172781001
CID 172781001
CID 172781038
CID 172781038
1-methyl-2-(2,3,3-trichloroprop-2-enyl)benzene
CID 71365855
2-(2-methylphenyl)-N-oxoacetamide
CID 89001397
1,2-bis(2-methylphenyl)ethanone
CID 11345119
CID 88723030
CID 88723030
2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid
CID 103239796

Frequently Asked Questions

What is the IUPAC name of dichloromethane;2-(2-methylphenyl)acetic acid?
The IUPAC name of dichloromethane;2-(2-methylphenyl)acetic acid (CID 174962889) is dichloromethane;2-(2-methylphenyl)acetic acid.
What is the SMILES notation for dichloromethane;2-(2-methylphenyl)acetic acid?
The canonical SMILES for dichloromethane;2-(2-methylphenyl)acetic acid is Cc1ccccc1CC(=O)O.ClCCl.
What is the InChIKey of dichloromethane;2-(2-methylphenyl)acetic acid?
The InChIKey is YPPLNQOMYJZCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.CH2Cl2/c1-7-4-2-3-5-8(7)6-9(10)11;2-1-3/h2-5H,6H2,1H3,(H,10,11);1H2.
What are the key properties of dichloromethane;2-(2-methylphenyl)acetic acid?
dichloromethane;2-(2-methylphenyl)acetic acid has a molecular weight of 235.11 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;2-(2-methylphenyl)acetic acid is sourced from PubChem (CID 174962889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).