1-[(1R)-1-bromo-2-phenylethyl]sulfinyl-4-chlorobenzene

C14H12BrClOS — CID 101074890

IUPAC1-[(1R)-1-bromo-2-phenylethyl]sulfinyl-4-chlorobenzene
SMILESO=S(c1ccc(Cl)cc1)[C@H](Br)Cc1ccccc1
InChIInChI=1S/C14H12BrClOS/c15-14(10-11-4-2-1-3-5-11)18(17)13-8-6-12(16)7-9-13/h1-9,14H,10H2/t14-,18?/m0/s1
InChIKeyVOJNEXMTMAHTTG-PIVQAISJSA-N
MW343.67 g/mol
LogP4.41
Rot. Bonds4

About 1-[(1R)-1-bromo-2-phenylethyl]sulfinyl-4-chlorobenzene

1-[(1R)-1-bromo-2-phenylethyl]sulfinyl-4-chlorobenzene (PubChem CID 101074890) has the molecular formula C14H12BrClOS and a molecular weight of 343.67 g/mol. Its IUPAC name is 1-[(1R)-1-bromo-2-phenylethyl]sulfinyl-4-chlorobenzene.

Molecular Properties

Compound Name1-[(1R)-1-bromo-2-phenylethyl]sulfinyl-4-chlorobenzene
PubChem CID101074890
Molecular FormulaC14H12BrClOS
Molecular Weight343.67 g/mol
Exact Mass341.95
IUPAC Name1-[(1R)-1-bromo-2-phenylethyl]sulfinyl-4-chlorobenzene
SMILESO=S(c1ccc(Cl)cc1)[C@H](Br)Cc1ccccc1
InChIInChI=1S/C14H12BrClOS/c15-14(10-11-4-2-1-3-5-11)18(17)13-8-6-12(16)7-9-13/h1-9,14H,10H2/t14-,18?/m0/s1
InChIKeyVOJNEXMTMAHTTG-PIVQAISJSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.67
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-[(R)-[(1R)-1-chloro-2-phenylethyl]sulfinyl]benzene
CID 11231845
1-(benzenesulfinylsulfinyl)-4-chlorobenzene
CID 57199201
1-(benzylsulfinylmethyl)-4-chlorobenzene
CID 12907855
1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene
CID 10923906
(3S,6R)-1-(4-chlorophenyl)-2,3,6,7-tetrahydroxy-8-phenyloctane-4,5-dione
CID 90985190
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene
CID 79434100
1-chloro-4-[(1S)-1-chloroethyl]sulfinylbenzene
CID 102076645
4-chloro-N-(1,3-diphenylpropan-2-yl)aniline
CID 175391437
1-chloro-4-(2-isocyano-3-phenylpropyl)benzene
CID 22215070
(5R)-1-(4-chlorophenyl)-2,5,6-trihydroxy-7-phenylheptane-3,4-dione
CID 54060479
1-chloro-4-(tribromomethylsulfinyl)benzene
CID 23535143

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-bromo-2-phenylethyl]sulfinyl-4-chlorobenzene?
The IUPAC name of 1-[(1R)-1-bromo-2-phenylethyl]sulfinyl-4-chlorobenzene (CID 101074890) is 1-[(1R)-1-bromo-2-phenylethyl]sulfinyl-4-chlorobenzene.
What is the SMILES notation for 1-[(1R)-1-bromo-2-phenylethyl]sulfinyl-4-chlorobenzene?
The canonical SMILES for 1-[(1R)-1-bromo-2-phenylethyl]sulfinyl-4-chlorobenzene is O=S(c1ccc(Cl)cc1)[C@H](Br)Cc1ccccc1.
What is the InChIKey of 1-[(1R)-1-bromo-2-phenylethyl]sulfinyl-4-chlorobenzene?
The InChIKey is VOJNEXMTMAHTTG-PIVQAISJSA-N. The full InChI is InChI=1S/C14H12BrClOS/c15-14(10-11-4-2-1-3-5-11)18(17)13-8-6-12(16)7-9-13/h1-9,14H,10H2/t14-,18?/m0/s1.
What are the key properties of 1-[(1R)-1-bromo-2-phenylethyl]sulfinyl-4-chlorobenzene?
1-[(1R)-1-bromo-2-phenylethyl]sulfinyl-4-chlorobenzene has a molecular weight of 343.67 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-bromo-2-phenylethyl]sulfinyl-4-chlorobenzene is sourced from PubChem (CID 101074890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).