1-butyl-2-chloro-3-ethylbenzene

C12H17Cl — CID 139904751

IUPAC1-butyl-2-chloro-3-ethylbenzene
SMILESCCCCc1cccc(CC)c1Cl
InChIInChI=1S/C12H17Cl/c1-3-5-7-11-9-6-8-10(4-2)12(11)13/h6,8-9H,3-5,7H2,1-2H3
InChIKeyAKUYFJFYCOMACS-UHFFFAOYSA-N
MW196.72 g/mol
LogP4.24
Rot. Bonds4

About 1-butyl-2-chloro-3-ethylbenzene

1-butyl-2-chloro-3-ethylbenzene (PubChem CID 139904751) has the molecular formula C12H17Cl and a molecular weight of 196.72 g/mol. Its IUPAC name is 1-butyl-2-chloro-3-ethylbenzene.

Molecular Properties

Compound Name1-butyl-2-chloro-3-ethylbenzene
PubChem CID139904751
Molecular FormulaC12H17Cl
Molecular Weight196.72 g/mol
Exact Mass196.10
IUPAC Name1-butyl-2-chloro-3-ethylbenzene
SMILESCCCCc1cccc(CC)c1Cl
InChIInChI=1S/C12H17Cl/c1-3-5-7-11-9-6-8-10(4-2)12(11)13/h6,8-9H,3-5,7H2,1-2H3
InChIKeyAKUYFJFYCOMACS-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.72
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-2-chloro-3-ethenylbenzene
CID 174299293
N-(3-butyl-2-chlorophenyl)acetamide
CID 71304494
1,3-dibutyl-2-ethylbenzene
CID 22713046
azane;1-butyl-2-chlorobenzene
CID 19011342
CID 159940559
CID 159940559
2-chloro-1-methyl-3-propylbenzene;formaldehyde
CID 177230855
(3-butyl-2-chlorophenyl) diethyl phosphate
CID 70616337
1,2,3-tributylbenzene;hydrate
CID 172716323
1-ethyl-2-henicosylbenzene
CID 141174443
1-ethyl-3-pentyl-2-propylbenzene
CID 173025863
1-ethyl-2,3-dihexadecylbenzene
CID 154356590
2-butyl-1,3-di(tetracosyl)benzene
CID 91602515

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-chloro-3-ethylbenzene?
The IUPAC name of 1-butyl-2-chloro-3-ethylbenzene (CID 139904751) is 1-butyl-2-chloro-3-ethylbenzene.
What is the SMILES notation for 1-butyl-2-chloro-3-ethylbenzene?
The canonical SMILES for 1-butyl-2-chloro-3-ethylbenzene is CCCCc1cccc(CC)c1Cl.
What is the InChIKey of 1-butyl-2-chloro-3-ethylbenzene?
The InChIKey is AKUYFJFYCOMACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl/c1-3-5-7-11-9-6-8-10(4-2)12(11)13/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of 1-butyl-2-chloro-3-ethylbenzene?
1-butyl-2-chloro-3-ethylbenzene has a molecular weight of 196.72 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-chloro-3-ethylbenzene is sourced from PubChem (CID 139904751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).