1-[(S)-[(Z)-1-chloro-2-phenylhex-1-enyl]sulfinyl]-4-methylbenzene

C19H21ClOS — CID 134875983

IUPAC1-[(S)-[(Z)-1-chloro-2-phenylhex-1-enyl]sulfinyl]-4-methylbenzene
SMILESCCCC/C(=C(/Cl)[S@@](=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H21ClOS/c1-3-4-10-18(16-8-6-5-7-9-16)19(20)22(21)17-13-11-15(2)12-14-17/h5-9,11-14H,3-4,10H2,1-2H3/b19-18+/t22-/m0/s1
InChIKeyNDMBYMBJIJYLQZ-WUKBZCGHSA-N
MW332.90 g/mol
LogP5.90
Rot. Bonds6

About 1-[(S)-[(Z)-1-chloro-2-phenylhex-1-enyl]sulfinyl]-4-methylbenzene

1-[(S)-[(Z)-1-chloro-2-phenylhex-1-enyl]sulfinyl]-4-methylbenzene (PubChem CID 134875983) has the molecular formula C19H21ClOS and a molecular weight of 332.90 g/mol. Its IUPAC name is 1-[(S)-[(Z)-1-chloro-2-phenylhex-1-enyl]sulfinyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(S)-[(Z)-1-chloro-2-phenylhex-1-enyl]sulfinyl]-4-methylbenzene
PubChem CID134875983
Molecular FormulaC19H21ClOS
Molecular Weight332.90 g/mol
Exact Mass332.10
IUPAC Name1-[(S)-[(Z)-1-chloro-2-phenylhex-1-enyl]sulfinyl]-4-methylbenzene
SMILESCCCC/C(=C(/Cl)[S@@](=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H21ClOS/c1-3-4-10-18(16-8-6-5-7-9-16)19(20)22(21)17-13-11-15(2)12-14-17/h5-9,11-14H,3-4,10H2,1-2H3/b19-18+/t22-/m0/s1
InChIKeyNDMBYMBJIJYLQZ-WUKBZCGHSA-N
XLogP5.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.90
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-chloro-2-propylpent-1-enyl)sulfinyl-4-methylbenzene
CID 101495794
1-[(S)-[(E)-1-iodo-2-methylhex-1-enyl]sulfinyl]-4-methylbenzene
CID 10713647
[(Z)-1-(4-methylphenyl)sulfinylhept-1-enyl]-triphenylstannane
CID 177405788
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
1,1-difluorohept-1-en-2-ylbenzene
CID 10954812
ethane;1-phenylpentan-1-one
CID 143728184
2-(1-phenylpentylidene)propanedinitrile
CID 3597720
1-methyl-4-[(R)-[(Z)-2-[(E)-2-phenylethenyl]hex-1-enyl]sulfinyl]benzene
CID 11809512
1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene
CID 173389416
[(E)-1-(benzenesulfinyl)hex-1-en-2-yl]benzene
CID 138974661
(Z,2S,5R)-3-(4-methylphenyl)sulfinyl-2-phenylnon-3-en-5-ol
CID 102376307
(Z,1S)-2-(4-methylphenyl)sulfinyl-1-phenylhept-2-en-1-ol
CID 101210456

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-[(Z)-1-chloro-2-phenylhex-1-enyl]sulfinyl]-4-methylbenzene?
The IUPAC name of 1-[(S)-[(Z)-1-chloro-2-phenylhex-1-enyl]sulfinyl]-4-methylbenzene (CID 134875983) is 1-[(S)-[(Z)-1-chloro-2-phenylhex-1-enyl]sulfinyl]-4-methylbenzene.
What is the SMILES notation for 1-[(S)-[(Z)-1-chloro-2-phenylhex-1-enyl]sulfinyl]-4-methylbenzene?
The canonical SMILES for 1-[(S)-[(Z)-1-chloro-2-phenylhex-1-enyl]sulfinyl]-4-methylbenzene is CCCC/C(=C(/Cl)[S@@](=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 1-[(S)-[(Z)-1-chloro-2-phenylhex-1-enyl]sulfinyl]-4-methylbenzene?
The InChIKey is NDMBYMBJIJYLQZ-WUKBZCGHSA-N. The full InChI is InChI=1S/C19H21ClOS/c1-3-4-10-18(16-8-6-5-7-9-16)19(20)22(21)17-13-11-15(2)12-14-17/h5-9,11-14H,3-4,10H2,1-2H3/b19-18+/t22-/m0/s1.
What are the key properties of 1-[(S)-[(Z)-1-chloro-2-phenylhex-1-enyl]sulfinyl]-4-methylbenzene?
1-[(S)-[(Z)-1-chloro-2-phenylhex-1-enyl]sulfinyl]-4-methylbenzene has a molecular weight of 332.90 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-[(Z)-1-chloro-2-phenylhex-1-enyl]sulfinyl]-4-methylbenzene is sourced from PubChem (CID 134875983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).