1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene

C16H17Cl — CID 91338289

IUPAC1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene
SMILESCc1cc(Cl)ccc1-c1ccc(C)c(C)c1C
InChIInChI=1S/C16H17Cl/c1-10-5-7-16(13(4)12(10)3)15-8-6-14(17)9-11(15)2/h5-9H,1-4H3
InChIKeyLOSZILNXEOBREA-UHFFFAOYSA-N
MW244.76 g/mol
LogP5.24
Rot. Bonds1

About 1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene

1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene (PubChem CID 91338289) has the molecular formula C16H17Cl and a molecular weight of 244.76 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene
PubChem CID91338289
Molecular FormulaC16H17Cl
Molecular Weight244.76 g/mol
Exact Mass244.10
IUPAC Name1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene
SMILESCc1cc(Cl)ccc1-c1ccc(C)c(C)c1C
InChIInChI=1S/C16H17Cl/c1-10-5-7-16(13(4)12(10)3)15-8-6-14(17)9-11(15)2/h5-9H,1-4H3
InChIKeyLOSZILNXEOBREA-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.76
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-chloro-2-methyl-1-(2-methylphenyl)benzene
CID 70849207
1,2-difluoro-4-methyl-5-(2,3,4-trimethylphenyl)benzene
CID 91261631
ethane;1-fluoro-2,3-dimethyl-4-(2,3,4-trimethylphenyl)benzene
CID 144503009
2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene
CID 70919846
4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid
CID 53226756
sodium 4-(4-chloro-2-methylphenyl)phenolate
CID 174930978
4-chloro-1-(4-fluorophenyl)-2-methylbenzene
CID 46314507
1-(4-chloro-2-methylphenyl)-2-methoxy-3-methylbenzene
CID 139342224
4-chloro-2-methyl-1-[2-(trifluoromethyl)phenyl]benzene
CID 118834049
4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene
CID 71243768
2-(4-chloro-2-methylphenyl)-5-methylfuran
CID 123392462
4-chloro-1,2-dimethylbenzene;phosphenous acid;chloride
CID 57361684

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene (CID 91338289) is 1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene is Cc1cc(Cl)ccc1-c1ccc(C)c(C)c1C.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene?
The InChIKey is LOSZILNXEOBREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl/c1-10-5-7-16(13(4)12(10)3)15-8-6-14(17)9-11(15)2/h5-9H,1-4H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene?
1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene has a molecular weight of 244.76 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene is sourced from PubChem (CID 91338289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).