1-chloro-2,3-dimethyl-4-(1-phenylethyl)benzene

C16H17Cl — CID 3024465

IUPAC1-chloro-2,3-dimethyl-4-(1-phenylethyl)benzene
SMILESCc1c(Cl)ccc(C(C)c2ccccc2)c1C
InChIInChI=1S/C16H17Cl/c1-11-12(2)16(17)10-9-15(11)13(3)14-7-5-4-6-8-14/h4-10,13H,1-3H3
InChIKeyJVZOSCNIJORZIZ-UHFFFAOYSA-N
MW244.77 g/mol
LogP5.11
Rot. Bonds2

About 1-chloro-2,3-dimethyl-4-(1-phenylethyl)benzene

1-chloro-2,3-dimethyl-4-(1-phenylethyl)benzene (PubChem CID 3024465) has the molecular formula C16H17Cl and a molecular weight of 244.77 g/mol. Its IUPAC name is 1-chloro-2,3-dimethyl-4-(1-phenylethyl)benzene.

Molecular Properties

Compound Name1-chloro-2,3-dimethyl-4-(1-phenylethyl)benzene
PubChem CID3024465
Molecular FormulaC16H17Cl
Molecular Weight244.77 g/mol
Exact Mass244.10
IUPAC Name1-chloro-2,3-dimethyl-4-(1-phenylethyl)benzene
SMILESCc1c(Cl)ccc(C(C)c2ccccc2)c1C
InChIInChI=1S/C16H17Cl/c1-11-12(2)16(17)10-9-15(11)13(3)14-7-5-4-6-8-14/h4-10,13H,1-3H3
InChIKeyJVZOSCNIJORZIZ-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.77
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3-dimethyl-4-(1-phenylethyl)benzene?
The IUPAC name of 1-chloro-2,3-dimethyl-4-(1-phenylethyl)benzene (CID 3024465) is 1-chloro-2,3-dimethyl-4-(1-phenylethyl)benzene.
What is the SMILES notation for 1-chloro-2,3-dimethyl-4-(1-phenylethyl)benzene?
The canonical SMILES for 1-chloro-2,3-dimethyl-4-(1-phenylethyl)benzene is Cc1c(Cl)ccc(C(C)c2ccccc2)c1C.
What is the InChIKey of 1-chloro-2,3-dimethyl-4-(1-phenylethyl)benzene?
The InChIKey is JVZOSCNIJORZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl/c1-11-12(2)16(17)10-9-15(11)13(3)14-7-5-4-6-8-14/h4-10,13H,1-3H3.
What are the key properties of 1-chloro-2,3-dimethyl-4-(1-phenylethyl)benzene?
1-chloro-2,3-dimethyl-4-(1-phenylethyl)benzene has a molecular weight of 244.77 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3-dimethyl-4-(1-phenylethyl)benzene is sourced from PubChem (CID 3024465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).