1,2-dichloro-4-[4-[[(R)-methylsulfinyl]methyl]phenoxy]benzene

C14H12Cl2O2S — CID 129390999

IUPAC1,2-dichloro-4-[4-[[(R)-methylsulfinyl]methyl]phenoxy]benzene
SMILESC[S@@](=O)Cc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H12Cl2O2S/c1-19(17)9-10-2-4-11(5-3-10)18-12-6-7-13(15)14(16)8-12/h2-8H,9H2,1H3/t19-/m1/s1
InChIKeyGCZYLJZKRHVXTO-LJQANCHMSA-N
MW315.22 g/mol
LogP4.66
Rot. Bonds4

About 1,2-dichloro-4-[4-[[(R)-methylsulfinyl]methyl]phenoxy]benzene

1,2-dichloro-4-[4-[[(R)-methylsulfinyl]methyl]phenoxy]benzene (PubChem CID 129390999) has the molecular formula C14H12Cl2O2S and a molecular weight of 315.22 g/mol. Its IUPAC name is 1,2-dichloro-4-[4-[[(R)-methylsulfinyl]methyl]phenoxy]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[4-[[(R)-methylsulfinyl]methyl]phenoxy]benzene
PubChem CID129390999
Molecular FormulaC14H12Cl2O2S
Molecular Weight315.22 g/mol
Exact Mass313.99
IUPAC Name1,2-dichloro-4-[4-[[(R)-methylsulfinyl]methyl]phenoxy]benzene
SMILESC[S@@](=O)Cc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H12Cl2O2S/c1-19(17)9-10-2-4-11(5-3-10)18-12-6-7-13(15)14(16)8-12/h2-8H,9H2,1H3/t19-/m1/s1
InChIKeyGCZYLJZKRHVXTO-LJQANCHMSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(S)-[4-(3,4-dichlorophenoxy)phenyl]methylsulfinyl]acetic acid
CID 129364945
1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene
CID 63568031
1,2-dichloro-4-phenoxybenzene;propanal
CID 174651599
2-[[4-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetic acid
CID 66573806
2-chloro-1-methoxy-4-(methylsulfinylmethyl)benzene
CID 130611614
2-[2-[4-(3,4-dichlorophenoxy)phenyl]ethylamino]propanamide
CID 166625419
2-chloro-4-(4-ethylphenoxy)benzaldehyde
CID 114064170
2-chloro-4-(3,4-dichlorophenoxy)benzaldehyde
CID 114064183
2-[2-(3,4-dichlorophenoxy)-5-methylsulfinylphenyl]ethanamine
CID 141036025
2-chloro-4-(4-ethylphenoxy)benzenecarbothioamide
CID 55152064
1-(4-acetylpiperazin-1-yl)-2-[[4-(3,4-dichlorophenoxy)phenyl]methylsulfonyl]ethanone
CID 11620030
4-[2-[2-chloro-5-[[(R)-methylsulfinyl]methyl]anilino]ethoxy]benzonitrile
CID 95771010

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[4-[[(R)-methylsulfinyl]methyl]phenoxy]benzene?
The IUPAC name of 1,2-dichloro-4-[4-[[(R)-methylsulfinyl]methyl]phenoxy]benzene (CID 129390999) is 1,2-dichloro-4-[4-[[(R)-methylsulfinyl]methyl]phenoxy]benzene.
What is the SMILES notation for 1,2-dichloro-4-[4-[[(R)-methylsulfinyl]methyl]phenoxy]benzene?
The canonical SMILES for 1,2-dichloro-4-[4-[[(R)-methylsulfinyl]methyl]phenoxy]benzene is C[S@@](=O)Cc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1,2-dichloro-4-[4-[[(R)-methylsulfinyl]methyl]phenoxy]benzene?
The InChIKey is GCZYLJZKRHVXTO-LJQANCHMSA-N. The full InChI is InChI=1S/C14H12Cl2O2S/c1-19(17)9-10-2-4-11(5-3-10)18-12-6-7-13(15)14(16)8-12/h2-8H,9H2,1H3/t19-/m1/s1.
What are the key properties of 1,2-dichloro-4-[4-[[(R)-methylsulfinyl]methyl]phenoxy]benzene?
1,2-dichloro-4-[4-[[(R)-methylsulfinyl]methyl]phenoxy]benzene has a molecular weight of 315.22 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[4-[[(R)-methylsulfinyl]methyl]phenoxy]benzene is sourced from PubChem (CID 129390999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).