4-bromo-2-chloro-1-(cyclopropylmethylsulfinylmethyl)benzene

C11H12BrClOS — CID 75427491

IUPAC4-bromo-2-chloro-1-(cyclopropylmethylsulfinylmethyl)benzene
SMILESO=S(Cc1ccc(Br)cc1Cl)CC1CC1
InChIInChI=1S/C11H12BrClOS/c12-10-4-3-9(11(13)5-10)7-15(14)6-8-1-2-8/h3-5,8H,1-2,6-7H2
InChIKeyDHSGDJWAOXHTKG-UHFFFAOYSA-N
MW307.64 g/mol
LogP3.76
Rot. Bonds4

About 4-bromo-2-chloro-1-(cyclopropylmethylsulfinylmethyl)benzene

4-bromo-2-chloro-1-(cyclopropylmethylsulfinylmethyl)benzene (PubChem CID 75427491) has the molecular formula C11H12BrClOS and a molecular weight of 307.64 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-(cyclopropylmethylsulfinylmethyl)benzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-(cyclopropylmethylsulfinylmethyl)benzene
PubChem CID75427491
Molecular FormulaC11H12BrClOS
Molecular Weight307.64 g/mol
Exact Mass305.95
IUPAC Name4-bromo-2-chloro-1-(cyclopropylmethylsulfinylmethyl)benzene
SMILESO=S(Cc1ccc(Br)cc1Cl)CC1CC1
InChIInChI=1S/C11H12BrClOS/c12-10-4-3-9(11(13)5-10)7-15(14)6-8-1-2-8/h3-5,8H,1-2,6-7H2
InChIKeyDHSGDJWAOXHTKG-UHFFFAOYSA-N
XLogP3.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.64
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-(cyclopropylmethylsulfinylmethyl)benzene?
The IUPAC name of 4-bromo-2-chloro-1-(cyclopropylmethylsulfinylmethyl)benzene (CID 75427491) is 4-bromo-2-chloro-1-(cyclopropylmethylsulfinylmethyl)benzene.
What is the SMILES notation for 4-bromo-2-chloro-1-(cyclopropylmethylsulfinylmethyl)benzene?
The canonical SMILES for 4-bromo-2-chloro-1-(cyclopropylmethylsulfinylmethyl)benzene is O=S(Cc1ccc(Br)cc1Cl)CC1CC1.
What is the InChIKey of 4-bromo-2-chloro-1-(cyclopropylmethylsulfinylmethyl)benzene?
The InChIKey is DHSGDJWAOXHTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClOS/c12-10-4-3-9(11(13)5-10)7-15(14)6-8-1-2-8/h3-5,8H,1-2,6-7H2.
What are the key properties of 4-bromo-2-chloro-1-(cyclopropylmethylsulfinylmethyl)benzene?
4-bromo-2-chloro-1-(cyclopropylmethylsulfinylmethyl)benzene has a molecular weight of 307.64 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-(cyclopropylmethylsulfinylmethyl)benzene is sourced from PubChem (CID 75427491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).