2-cyclohexa-1,3-dien-1-yl-2-phenylsulfanylethanol

C14H16OS — CID 144623756

IUPAC2-cyclohexa-1,3-dien-1-yl-2-phenylsulfanylethanol
SMILESOCC(Sc1ccccc1)C1=CC=CCC1
InChIInChI=1S/C14H16OS/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-3,5-7,9-10,14-15H,4,8,11H2
InChIKeyGIMRHWYIPHTGTO-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.42
Rot. Bonds4

About 2-cyclohexa-1,3-dien-1-yl-2-phenylsulfanylethanol

2-cyclohexa-1,3-dien-1-yl-2-phenylsulfanylethanol (PubChem CID 144623756) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-2-phenylsulfanylethanol.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-2-phenylsulfanylethanol
PubChem CID144623756
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name2-cyclohexa-1,3-dien-1-yl-2-phenylsulfanylethanol
SMILESOCC(Sc1ccccc1)C1=CC=CCC1
InChIInChI=1S/C14H16OS/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-3,5-7,9-10,14-15H,4,8,11H2
InChIKeyGIMRHWYIPHTGTO-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-2-phenylsulfanylethanol
CID 11264720
cyclohexa-1,3-dien-1-yl(phenyl)silane
CID 154538324
2-cyclohexa-1,3-dien-1-ylpropan-1-ol
CID 118601022
3-cyclohexa-1,3-dien-1-ylbutan-1-ol
CID 123563743
12-(cyclohexen-1-yl)-12-phenylsulfanyldodecan-1-ol
CID 100994500
2-(4-chlorophenyl)sulfanyl-2-phenylethanol
CID 16735964
2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol
CID 134966659
2,2-di(cyclopenta-1,3-dien-1-yl)ethanol
CID 22274817
3-phenyl-2-phenylsulfanylpropan-1-ol
CID 14744646
3-phenylsulfanylbutane-1,2,4-triol
CID 54001701
2-(cyclobuten-1-yl)-2-phenylethanol
CID 71775978
1-cyclohexa-1,3-dien-1-yl-2-methoxyethanol
CID 173164220

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-2-phenylsulfanylethanol?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-2-phenylsulfanylethanol (CID 144623756) is 2-cyclohexa-1,3-dien-1-yl-2-phenylsulfanylethanol.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-2-phenylsulfanylethanol?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-2-phenylsulfanylethanol is OCC(Sc1ccccc1)C1=CC=CCC1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-2-phenylsulfanylethanol?
The InChIKey is GIMRHWYIPHTGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-3,5-7,9-10,14-15H,4,8,11H2.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-2-phenylsulfanylethanol?
2-cyclohexa-1,3-dien-1-yl-2-phenylsulfanylethanol has a molecular weight of 232.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-2-phenylsulfanylethanol is sourced from PubChem (CID 144623756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).