2-(2-chlorophenyl)sulfanyl-6-prop-1-enylphenol

C15H13ClOS — CID 54072915

IUPAC2-(2-chlorophenyl)sulfanyl-6-prop-1-enylphenol
SMILESCC=Cc1cccc(Sc2ccccc2Cl)c1O
InChIInChI=1S/C15H13ClOS/c1-2-6-11-7-5-10-14(15(11)17)18-13-9-4-3-8-12(13)16/h2-10,17H,1H3
InChIKeyMHSUAHBBHDJTIJ-UHFFFAOYSA-N
MW276.79 g/mol
LogP5.23
Rot. Bonds3

About 2-(2-chlorophenyl)sulfanyl-6-prop-1-enylphenol

2-(2-chlorophenyl)sulfanyl-6-prop-1-enylphenol (PubChem CID 54072915) has the molecular formula C15H13ClOS and a molecular weight of 276.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-6-prop-1-enylphenol.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-6-prop-1-enylphenol
PubChem CID54072915
Molecular FormulaC15H13ClOS
Molecular Weight276.79 g/mol
Exact Mass276.04
IUPAC Name2-(2-chlorophenyl)sulfanyl-6-prop-1-enylphenol
SMILESCC=Cc1cccc(Sc2ccccc2Cl)c1O
InChIInChI=1S/C15H13ClOS/c1-2-6-11-7-5-10-14(15(11)17)18-13-9-4-3-8-12(13)16/h2-10,17H,1H3
InChIKeyMHSUAHBBHDJTIJ-UHFFFAOYSA-N
XLogP5.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.79
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-bis[(E)-prop-1-enyl]phenol
CID 21472692
1-chloro-2-[(E)-prop-1-enyl]benzene;ethane
CID 144702462
2-(2-chlorophenyl)sulfanylphenol
CID 20513469
2-[3-(2-chlorophenyl)sulfanyl-2-hydroxyphenyl]acetic acid
CID 13066690
methane;2-propan-2-yl-6-[(E)-prop-1-enyl]phenol;bis(2-[(E)-prop-1-enyl]phenol)
CID 167541647
1-chloro-2-methoxy-3-[(E)-prop-1-enyl]benzene
CID 173339850
2,5-bis(prop-1-enyl)naphthalen-1-ol
CID 57184250
(1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol
CID 63813984
3-(2-chlorophenyl)sulfanylbenzoic acid
CID 15727816
2,6-bis[(2-chlorophenyl)sulfanyl]benzonitrile
CID 10249651
2-(2-chlorophenyl)sulfanylbenzonitrile
CID 15643699
5-[[2-(2-chlorophenyl)sulfanylphenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168600178

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-6-prop-1-enylphenol?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-6-prop-1-enylphenol (CID 54072915) is 2-(2-chlorophenyl)sulfanyl-6-prop-1-enylphenol.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-6-prop-1-enylphenol?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-6-prop-1-enylphenol is CC=Cc1cccc(Sc2ccccc2Cl)c1O.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-6-prop-1-enylphenol?
The InChIKey is MHSUAHBBHDJTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClOS/c1-2-6-11-7-5-10-14(15(11)17)18-13-9-4-3-8-12(13)16/h2-10,17H,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-6-prop-1-enylphenol?
2-(2-chlorophenyl)sulfanyl-6-prop-1-enylphenol has a molecular weight of 276.79 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-6-prop-1-enylphenol is sourced from PubChem (CID 54072915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).