2-(2-prop-2-enylphenyl)phenol;sulfuric acid

C15H16O5S — CID 67728772

IUPAC2-(2-prop-2-enylphenyl)phenol;sulfuric acid
SMILESC=CCc1ccccc1-c1ccccc1O.O=S(=O)(O)O
InChIInChI=1S/C15H14O.H2O4S/c1-2-7-12-8-3-4-9-13(12)14-10-5-6-11-15(14)16;1-5(2,3)4/h2-6,8-11,16H,1,7H2;(H2,1,2,3,4)
InChIKeyGTIWYASCERCZOK-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.13
Rot. Bonds3

About 2-(2-prop-2-enylphenyl)phenol;sulfuric acid

2-(2-prop-2-enylphenyl)phenol;sulfuric acid (PubChem CID 67728772) has the molecular formula C15H16O5S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-(2-prop-2-enylphenyl)phenol;sulfuric acid.

Molecular Properties

Compound Name2-(2-prop-2-enylphenyl)phenol;sulfuric acid
PubChem CID67728772
Molecular FormulaC15H16O5S
Molecular Weight308.36 g/mol
Exact Mass308.07
IUPAC Name2-(2-prop-2-enylphenyl)phenol;sulfuric acid
SMILESC=CCc1ccccc1-c1ccccc1O.O=S(=O)(O)O
InChIInChI=1S/C15H14O.H2O4S/c1-2-7-12-8-3-4-9-13(12)14-10-5-6-11-15(14)16;1-5(2,3)4/h2-6,8-11,16H,1,7H2;(H2,1,2,3,4)
InChIKeyGTIWYASCERCZOK-UHFFFAOYSA-N
XLogP3.13
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 174775131
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formic acid;1-phenyl-2-prop-2-enylbenzene
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boric acid;2-prop-2-enylphenol
CID 70457137
1-benzyl-2-(2-prop-2-enylphenyl)benzene
CID 173274137
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CID 70155060
decakis(prop-1-ene);2-prop-2-enylbenzenesulfonic acid
CID 175179213
sodium;benzenesulfonate;2-prop-2-enylphenol
CID 174320644
prop-2-enamide;2-prop-2-enylbenzenesulfonic acid
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CID 174684610
2-prop-2-enylbenzoic acid
CID 2752991

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enylphenyl)phenol;sulfuric acid?
The IUPAC name of 2-(2-prop-2-enylphenyl)phenol;sulfuric acid (CID 67728772) is 2-(2-prop-2-enylphenyl)phenol;sulfuric acid.
What is the SMILES notation for 2-(2-prop-2-enylphenyl)phenol;sulfuric acid?
The canonical SMILES for 2-(2-prop-2-enylphenyl)phenol;sulfuric acid is C=CCc1ccccc1-c1ccccc1O.O=S(=O)(O)O.
What is the InChIKey of 2-(2-prop-2-enylphenyl)phenol;sulfuric acid?
The InChIKey is GTIWYASCERCZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O.H2O4S/c1-2-7-12-8-3-4-9-13(12)14-10-5-6-11-15(14)16;1-5(2,3)4/h2-6,8-11,16H,1,7H2;(H2,1,2,3,4).
What are the key properties of 2-(2-prop-2-enylphenyl)phenol;sulfuric acid?
2-(2-prop-2-enylphenyl)phenol;sulfuric acid has a molecular weight of 308.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enylphenyl)phenol;sulfuric acid is sourced from PubChem (CID 67728772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).