bis(2-prop-1-enylphenyl) sulfate

C18H18O4S — CID 54305499

IUPACbis(2-prop-1-enylphenyl) sulfate
SMILESCC=Cc1ccccc1OS(=O)(=O)Oc1ccccc1C=CC
InChIInChI=1S/C18H18O4S/c1-3-9-15-11-5-7-13-17(15)21-23(19,20)22-18-14-8-6-12-16(18)10-4-2/h3-14H,1-2H3
InChIKeySHEYGOVZCIDOEH-UHFFFAOYSA-N
MW330.41 g/mol
LogP4.46
Rot. Bonds6

About bis(2-prop-1-enylphenyl) sulfate

bis(2-prop-1-enylphenyl) sulfate (PubChem CID 54305499) has the molecular formula C18H18O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is bis(2-prop-1-enylphenyl) sulfate.

Molecular Properties

Compound Namebis(2-prop-1-enylphenyl) sulfate
PubChem CID54305499
Molecular FormulaC18H18O4S
Molecular Weight330.41 g/mol
Exact Mass330.09
IUPAC Namebis(2-prop-1-enylphenyl) sulfate
SMILESCC=Cc1ccccc1OS(=O)(=O)Oc1ccccc1C=CC
InChIInChI=1S/C18H18O4S/c1-3-9-15-11-5-7-13-17(15)21-23(19,20)22-18-14-8-6-12-16(18)10-4-2/h3-14H,1-2H3
InChIKeySHEYGOVZCIDOEH-UHFFFAOYSA-N
XLogP4.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-prop-1-enylphenyl) sulfite
CID 175142928
ethane;1-prop-1-enyl-2-propoxybenzene
CID 91525443
1-(4-chlorobutoxy)-2-prop-1-enylbenzene
CID 76919134
1-(4-methylphenyl)-2-(2-prop-1-enylphenoxy)propan-1-one
CID 76999449
1-[4-[2-[(Z)-prop-1-enyl]phenoxy]phenyl]ethanone
CID 126685866
1,2,3-tris[(Z)-prop-1-enyl]benzene
CID 173113389
5-methyl-2-(2-prop-1-enylphenoxy)benzoic acid
CID 76996043
2-(2-prop-1-enylphenoxy)propan-1-amine
CID 76943563
1-(1-bromopropan-2-yloxy)-2-prop-1-enylbenzene
CID 131866211
1-methoxy-2-(2-methylsulfonylethenyl)benzene
CID 71427432
(2-formylphenyl) ethanesulfonate
CID 142982567
1-[2-[(Z)-prop-1-enyl]phenyl]ethanethione
CID 154988579

Frequently Asked Questions

What is the IUPAC name of bis(2-prop-1-enylphenyl) sulfate?
The IUPAC name of bis(2-prop-1-enylphenyl) sulfate (CID 54305499) is bis(2-prop-1-enylphenyl) sulfate.
What is the SMILES notation for bis(2-prop-1-enylphenyl) sulfate?
The canonical SMILES for bis(2-prop-1-enylphenyl) sulfate is CC=Cc1ccccc1OS(=O)(=O)Oc1ccccc1C=CC.
What is the InChIKey of bis(2-prop-1-enylphenyl) sulfate?
The InChIKey is SHEYGOVZCIDOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4S/c1-3-9-15-11-5-7-13-17(15)21-23(19,20)22-18-14-8-6-12-16(18)10-4-2/h3-14H,1-2H3.
What are the key properties of bis(2-prop-1-enylphenyl) sulfate?
bis(2-prop-1-enylphenyl) sulfate has a molecular weight of 330.41 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-prop-1-enylphenyl) sulfate is sourced from PubChem (CID 54305499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).