2-prop-2-enylphenol;sulfuryl dichloride

C9H10Cl2O3S — CID 174775131

IUPAC2-prop-2-enylphenol;sulfuryl dichloride
SMILESC=CCc1ccccc1O.O=S(=O)(Cl)Cl
InChIInChI=1S/C9H10O.Cl2O2S/c1-2-5-8-6-3-4-7-9(8)10;1-5(2,3)4/h2-4,6-7,10H,1,5H2;
InChIKeyHONAKQNQQZXTKD-UHFFFAOYSA-N
MW269.15 g/mol
LogP2.83
Rot. Bonds2

About 2-prop-2-enylphenol;sulfuryl dichloride

2-prop-2-enylphenol;sulfuryl dichloride (PubChem CID 174775131) has the molecular formula C9H10Cl2O3S and a molecular weight of 269.15 g/mol. Its IUPAC name is 2-prop-2-enylphenol;sulfuryl dichloride.

Molecular Properties

Compound Name2-prop-2-enylphenol;sulfuryl dichloride
PubChem CID174775131
Molecular FormulaC9H10Cl2O3S
Molecular Weight269.15 g/mol
Exact Mass267.97
IUPAC Name2-prop-2-enylphenol;sulfuryl dichloride
SMILESC=CCc1ccccc1O.O=S(=O)(Cl)Cl
InChIInChI=1S/C9H10O.Cl2O2S/c1-2-5-8-6-3-4-7-9(8)10;1-5(2,3)4/h2-4,6-7,10H,1,5H2;
InChIKeyHONAKQNQQZXTKD-UHFFFAOYSA-N
XLogP2.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 70457137
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2-methylprop-2-enoic acid;2-prop-2-enylphenol
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CID 174719033
decakis(prop-1-ene);2-prop-2-enylbenzenesulfonic acid
CID 175179213
2-tert-butylphenol;2-prop-2-enylphenol
CID 88688446
sodium;ethoxyethane;hydride;2-prop-2-enylphenol
CID 173000215
1,2-bis(prop-2-enyl)benzene;formic acid
CID 174684610
2-prop-2-enylbenzenesulfonate;rubidium(1+)
CID 140773324
1-phenylpyrrole-2,5-dione;2-prop-2-enylphenol
CID 86738922
3-(2-hydroxyphenyl)prop-1-ene-2-sulfonyl chloride
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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylphenol;sulfuryl dichloride?
The IUPAC name of 2-prop-2-enylphenol;sulfuryl dichloride (CID 174775131) is 2-prop-2-enylphenol;sulfuryl dichloride.
What is the SMILES notation for 2-prop-2-enylphenol;sulfuryl dichloride?
The canonical SMILES for 2-prop-2-enylphenol;sulfuryl dichloride is C=CCc1ccccc1O.O=S(=O)(Cl)Cl.
What is the InChIKey of 2-prop-2-enylphenol;sulfuryl dichloride?
The InChIKey is HONAKQNQQZXTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.Cl2O2S/c1-2-5-8-6-3-4-7-9(8)10;1-5(2,3)4/h2-4,6-7,10H,1,5H2;.
What are the key properties of 2-prop-2-enylphenol;sulfuryl dichloride?
2-prop-2-enylphenol;sulfuryl dichloride has a molecular weight of 269.15 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylphenol;sulfuryl dichloride is sourced from PubChem (CID 174775131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).