1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-methoxybenzene

C15H13ClOS — CID 14530390

IUPAC1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-methoxybenzene
SMILESCOc1ccc(S/C=C(\Cl)c2ccccc2)cc1
InChIInChI=1S/C15H13ClOS/c1-17-13-7-9-14(10-8-13)18-11-15(16)12-5-3-2-4-6-12/h2-11H,1H3/b15-11-
InChIKeyUGEVCNDKEVPMML-PTNGSMBKSA-N
MW276.79 g/mol
LogP5.02
Rot. Bonds4

About 1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-methoxybenzene

1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-methoxybenzene (PubChem CID 14530390) has the molecular formula C15H13ClOS and a molecular weight of 276.79 g/mol. Its IUPAC name is 1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-methoxybenzene
PubChem CID14530390
Molecular FormulaC15H13ClOS
Molecular Weight276.79 g/mol
Exact Mass276.04
IUPAC Name1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-methoxybenzene
SMILESCOc1ccc(S/C=C(\Cl)c2ccccc2)cc1
InChIInChI=1S/C15H13ClOS/c1-17-13-7-9-14(10-8-13)18-11-15(16)12-5-3-2-4-6-12/h2-11H,1H3/b15-11-
InChIKeyUGEVCNDKEVPMML-PTNGSMBKSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.79
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-methoxybenzene?
The IUPAC name of 1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-methoxybenzene (CID 14530390) is 1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-methoxybenzene.
What is the SMILES notation for 1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-methoxybenzene?
The canonical SMILES for 1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-methoxybenzene is COc1ccc(S/C=C(\Cl)c2ccccc2)cc1.
What is the InChIKey of 1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-methoxybenzene?
The InChIKey is UGEVCNDKEVPMML-PTNGSMBKSA-N. The full InChI is InChI=1S/C15H13ClOS/c1-17-13-7-9-14(10-8-13)18-11-15(16)12-5-3-2-4-6-12/h2-11H,1H3/b15-11-.
What are the key properties of 1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-methoxybenzene?
1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-methoxybenzene has a molecular weight of 276.79 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-chloro-2-phenylethenyl]sulfanyl-4-methoxybenzene is sourced from PubChem (CID 14530390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).