1-[1-methyl-2-[(E)-2-phenylsulfanylethenyl]cyclopropyl]ethanol

C14H18OS — CID 10059941

IUPAC1-[1-methyl-2-[(E)-2-phenylsulfanylethenyl]cyclopropyl]ethanol
SMILESCC(O)C1(C)CC1/C=C/Sc1ccccc1
InChIInChI=1S/C14H18OS/c1-11(15)14(2)10-12(14)8-9-16-13-6-4-3-5-7-13/h3-9,11-12,15H,10H2,1-2H3/b9-8+
InChIKeyZAXRLIAUTASHSE-CMDGGOBGSA-N
MW234.36 g/mol
LogP3.70
Rot. Bonds4

About 1-[1-methyl-2-[(E)-2-phenylsulfanylethenyl]cyclopropyl]ethanol

1-[1-methyl-2-[(E)-2-phenylsulfanylethenyl]cyclopropyl]ethanol (PubChem CID 10059941) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-[1-methyl-2-[(E)-2-phenylsulfanylethenyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[1-methyl-2-[(E)-2-phenylsulfanylethenyl]cyclopropyl]ethanol
PubChem CID10059941
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name1-[1-methyl-2-[(E)-2-phenylsulfanylethenyl]cyclopropyl]ethanol
SMILESCC(O)C1(C)CC1/C=C/Sc1ccccc1
InChIInChI=1S/C14H18OS/c1-11(15)14(2)10-12(14)8-9-16-13-6-4-3-5-7-13/h3-9,11-12,15H,10H2,1-2H3/b9-8+
InChIKeyZAXRLIAUTASHSE-CMDGGOBGSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-2-[(E)-2-phenylsulfanylethenyl]cyclopropyl]ethanol?
The IUPAC name of 1-[1-methyl-2-[(E)-2-phenylsulfanylethenyl]cyclopropyl]ethanol (CID 10059941) is 1-[1-methyl-2-[(E)-2-phenylsulfanylethenyl]cyclopropyl]ethanol.
What is the SMILES notation for 1-[1-methyl-2-[(E)-2-phenylsulfanylethenyl]cyclopropyl]ethanol?
The canonical SMILES for 1-[1-methyl-2-[(E)-2-phenylsulfanylethenyl]cyclopropyl]ethanol is CC(O)C1(C)CC1/C=C/Sc1ccccc1.
What is the InChIKey of 1-[1-methyl-2-[(E)-2-phenylsulfanylethenyl]cyclopropyl]ethanol?
The InChIKey is ZAXRLIAUTASHSE-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H18OS/c1-11(15)14(2)10-12(14)8-9-16-13-6-4-3-5-7-13/h3-9,11-12,15H,10H2,1-2H3/b9-8+.
What are the key properties of 1-[1-methyl-2-[(E)-2-phenylsulfanylethenyl]cyclopropyl]ethanol?
1-[1-methyl-2-[(E)-2-phenylsulfanylethenyl]cyclopropyl]ethanol has a molecular weight of 234.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-2-[(E)-2-phenylsulfanylethenyl]cyclopropyl]ethanol is sourced from PubChem (CID 10059941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).