1-butan-2-yl-4-chlorobenzene;ethane

C12H19Cl — CID 91162250

IUPAC1-butan-2-yl-4-chlorobenzene;ethane
SMILESCC.CCC(C)c1ccc(Cl)cc1
InChIInChI=1S/C10H13Cl.C2H6/c1-3-8(2)9-4-6-10(11)7-5-9;1-2/h4-8H,3H2,1-2H3;1-2H3
InChIKeyIHPQGXHEARYIJS-UHFFFAOYSA-N
MW198.74 g/mol
LogP4.88
Rot. Bonds2

About 1-butan-2-yl-4-chlorobenzene;ethane

1-butan-2-yl-4-chlorobenzene;ethane (PubChem CID 91162250) has the molecular formula C12H19Cl and a molecular weight of 198.74 g/mol. Its IUPAC name is 1-butan-2-yl-4-chlorobenzene;ethane.

Molecular Properties

Compound Name1-butan-2-yl-4-chlorobenzene;ethane
PubChem CID91162250
Molecular FormulaC12H19Cl
Molecular Weight198.74 g/mol
Exact Mass198.12
IUPAC Name1-butan-2-yl-4-chlorobenzene;ethane
SMILESCC.CCC(C)c1ccc(Cl)cc1
InChIInChI=1S/C10H13Cl.C2H6/c1-3-8(2)9-4-6-10(11)7-5-9;1-2/h4-8H,3H2,1-2H3;1-2H3
InChIKeyIHPQGXHEARYIJS-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.74
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-butan-2-yl-N-[(4-chlorophenyl)methyl]aniline
CID 43230048
N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane
CID 143909835
(4-butan-2-ylphenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879198
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-butan-2-yl-4-fluorobenzene
CID 11829648
1-(2-bromo-1-butan-2-yloxyethyl)-4-chlorobenzene
CID 30612
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
1-butan-2-yl-4-(1-chloro-2-methylbutyl)benzene
CID 63430333
1-butan-2-yl-4-methylsulfanylbenzene;ethane
CID 143774583
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
1-(4-chlorophenyl)ethylazanium
CID 18541873
4-[4-(4-chlorophenyl)hexan-2-yl]phenol
CID 130398550

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-chlorobenzene;ethane?
The IUPAC name of 1-butan-2-yl-4-chlorobenzene;ethane (CID 91162250) is 1-butan-2-yl-4-chlorobenzene;ethane.
What is the SMILES notation for 1-butan-2-yl-4-chlorobenzene;ethane?
The canonical SMILES for 1-butan-2-yl-4-chlorobenzene;ethane is CC.CCC(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-butan-2-yl-4-chlorobenzene;ethane?
The InChIKey is IHPQGXHEARYIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl.C2H6/c1-3-8(2)9-4-6-10(11)7-5-9;1-2/h4-8H,3H2,1-2H3;1-2H3.
What are the key properties of 1-butan-2-yl-4-chlorobenzene;ethane?
1-butan-2-yl-4-chlorobenzene;ethane has a molecular weight of 198.74 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-chlorobenzene;ethane is sourced from PubChem (CID 91162250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).