2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane

C19H26Cl2 — CID 144609409

IUPAC2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane
SMILESCC.CC.Cc1ccc(Cc2ccc(C)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H14Cl2.2C2H6/c1-10-3-5-12(8-14(10)16)7-13-6-4-11(2)15(17)9-13;2*1-2/h3-6,8-9H,7H2,1-2H3;2*1-2H3
InChIKeyCMYWYAXAKGCJPV-UHFFFAOYSA-N
MW325.32 g/mol
LogP7.25
Rot. Bonds2

About 2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane

2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane (PubChem CID 144609409) has the molecular formula C19H26Cl2 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane.

Molecular Properties

Compound Name2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane
PubChem CID144609409
Molecular FormulaC19H26Cl2
Molecular Weight325.32 g/mol
Exact Mass324.14
IUPAC Name2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane
SMILESCC.CC.Cc1ccc(Cc2ccc(C)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H14Cl2.2C2H6/c1-10-3-5-12(8-14(10)16)7-13-6-4-11(2)15(17)9-13;2*1-2/h3-6,8-9H,7H2,1-2H3;2*1-2H3
InChIKeyCMYWYAXAKGCJPV-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.32
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloro-4-ethyl-1-methylbenzene;ethane;methane
CID 142172309
4-(3-bromopropyl)-2-chloro-1-methylbenzene
CID 59407652
(3-chloro-4-methylphenyl)methyl-trimethylazanium
CID 14177568
2-[(3-chloro-4-methylphenyl)methyl]-1,3,4-oxadiazole
CID 170756097
1-(3-chloro-4-methylphenyl)-N-iodomethanamine
CID 143112650
1,2-dichloro-5-[(3,4-dichlorophenyl)methyl]-3-methylbenzene
CID 14252307
2-chloro-4-(ethylsulfonylmethyl)-1-methylbenzene
CID 167629819
(3-chloro-4-methylphenyl)methanesulfinate
CID 23171950
acetic acid;(3-chloro-4-methylphenyl)methanol
CID 71397051
N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine
CID 63195230
2-chloro-4-(2,2-dimethylbutyl)-1-methylbenzene
CID 70843231
CID 132935962
CID 132935962

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane?
The IUPAC name of 2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane (CID 144609409) is 2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane.
What is the SMILES notation for 2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane?
The canonical SMILES for 2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane is CC.CC.Cc1ccc(Cc2ccc(C)c(Cl)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane?
The InChIKey is CMYWYAXAKGCJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2.2C2H6/c1-10-3-5-12(8-14(10)16)7-13-6-4-11(2)15(17)9-13;2*1-2/h3-6,8-9H,7H2,1-2H3;2*1-2H3.
What are the key properties of 2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane?
2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane has a molecular weight of 325.32 g/mol, XLogP of 7.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane is sourced from PubChem (CID 144609409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).