1-chloro-4-[(R)-[(1R)-1-chloro-2-phenylethyl]sulfinyl]benzene

C14H12Cl2OS — CID 11231845

IUPAC1-chloro-4-[(R)-[(1R)-1-chloro-2-phenylethyl]sulfinyl]benzene
SMILESO=[S@](c1ccc(Cl)cc1)[C@H](Cl)Cc1ccccc1
InChIInChI=1S/C14H12Cl2OS/c15-12-6-8-13(9-7-12)18(17)14(16)10-11-4-2-1-3-5-11/h1-9,14H,10H2/t14-,18+/m0/s1
InChIKeyAXLASOPVPMFPOS-KBXCAEBGSA-N
MW299.22 g/mol
LogP4.26
Rot. Bonds4

About 1-chloro-4-[(R)-[(1R)-1-chloro-2-phenylethyl]sulfinyl]benzene

1-chloro-4-[(R)-[(1R)-1-chloro-2-phenylethyl]sulfinyl]benzene (PubChem CID 11231845) has the molecular formula C14H12Cl2OS and a molecular weight of 299.22 g/mol. Its IUPAC name is 1-chloro-4-[(R)-[(1R)-1-chloro-2-phenylethyl]sulfinyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(R)-[(1R)-1-chloro-2-phenylethyl]sulfinyl]benzene
PubChem CID11231845
Molecular FormulaC14H12Cl2OS
Molecular Weight299.22 g/mol
Exact Mass298.00
IUPAC Name1-chloro-4-[(R)-[(1R)-1-chloro-2-phenylethyl]sulfinyl]benzene
SMILESO=[S@](c1ccc(Cl)cc1)[C@H](Cl)Cc1ccccc1
InChIInChI=1S/C14H12Cl2OS/c15-12-6-8-13(9-7-12)18(17)14(16)10-11-4-2-1-3-5-11/h1-9,14H,10H2/t14-,18+/m0/s1
InChIKeyAXLASOPVPMFPOS-KBXCAEBGSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 54.26
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-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene
CID 10923906
1-[(1R)-1-bromo-2-phenylethyl]sulfinyl-4-chlorobenzene
CID 101074890
1-(benzenesulfinylsulfinyl)-4-chlorobenzene
CID 57199201
1-chloro-4-[(1S)-1-chloroethyl]sulfinylbenzene
CID 102076645
1-(benzylsulfinylmethyl)-4-chlorobenzene
CID 12907855
(3S,6R)-1-(4-chlorophenyl)-2,3,6,7-tetrahydroxy-8-phenyloctane-4,5-dione
CID 90985190
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
(3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one
CID 125485256
1,4-dichloro-2-(1-chloro-2-phenylethyl)benzene
CID 55249874
1-chloro-4-(2-isocyano-3-phenylpropyl)benzene
CID 22215070
4-chloro-N-(1,3-diphenylpropan-2-yl)aniline
CID 175391437
(5R)-1-(4-chlorophenyl)-2,5,6-trihydroxy-7-phenylheptane-3,4-dione
CID 54060479

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(R)-[(1R)-1-chloro-2-phenylethyl]sulfinyl]benzene?
The IUPAC name of 1-chloro-4-[(R)-[(1R)-1-chloro-2-phenylethyl]sulfinyl]benzene (CID 11231845) is 1-chloro-4-[(R)-[(1R)-1-chloro-2-phenylethyl]sulfinyl]benzene.
What is the SMILES notation for 1-chloro-4-[(R)-[(1R)-1-chloro-2-phenylethyl]sulfinyl]benzene?
The canonical SMILES for 1-chloro-4-[(R)-[(1R)-1-chloro-2-phenylethyl]sulfinyl]benzene is O=[S@](c1ccc(Cl)cc1)[C@H](Cl)Cc1ccccc1.
What is the InChIKey of 1-chloro-4-[(R)-[(1R)-1-chloro-2-phenylethyl]sulfinyl]benzene?
The InChIKey is AXLASOPVPMFPOS-KBXCAEBGSA-N. The full InChI is InChI=1S/C14H12Cl2OS/c15-12-6-8-13(9-7-12)18(17)14(16)10-11-4-2-1-3-5-11/h1-9,14H,10H2/t14-,18+/m0/s1.
What are the key properties of 1-chloro-4-[(R)-[(1R)-1-chloro-2-phenylethyl]sulfinyl]benzene?
1-chloro-4-[(R)-[(1R)-1-chloro-2-phenylethyl]sulfinyl]benzene has a molecular weight of 299.22 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(R)-[(1R)-1-chloro-2-phenylethyl]sulfinyl]benzene is sourced from PubChem (CID 11231845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).