2-[2-[(Z)-(5-methylsulfonyl-2-propylinden-1-ylidene)methyl]phenyl]ethanol

C22H24O3S — CID 139792670

IUPAC2-[2-[(Z)-(5-methylsulfonyl-2-propylinden-1-ylidene)methyl]phenyl]ethanol
SMILESCCCC1=Cc2cc(S(C)(=O)=O)ccc2/C1=C\c1ccccc1CCO
InChIInChI=1S/C22H24O3S/c1-3-6-18-13-19-14-20(26(2,24)25)9-10-21(19)22(18)15-17-8-5-4-7-16(17)11-12-23/h4-5,7-10,13-15,23H,3,6,11-12H2,1-2H3/b22-15-
InChIKeyHFGFYVJKZYPPNI-JCMHNJIXSA-N
MW368.50 g/mol
LogP4.36
Rot. Bonds6

About 2-[2-[(Z)-(5-methylsulfonyl-2-propylinden-1-ylidene)methyl]phenyl]ethanol

2-[2-[(Z)-(5-methylsulfonyl-2-propylinden-1-ylidene)methyl]phenyl]ethanol (PubChem CID 139792670) has the molecular formula C22H24O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-[2-[(Z)-(5-methylsulfonyl-2-propylinden-1-ylidene)methyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[(Z)-(5-methylsulfonyl-2-propylinden-1-ylidene)methyl]phenyl]ethanol
PubChem CID139792670
Molecular FormulaC22H24O3S
Molecular Weight368.50 g/mol
Exact Mass368.14
IUPAC Name2-[2-[(Z)-(5-methylsulfonyl-2-propylinden-1-ylidene)methyl]phenyl]ethanol
SMILESCCCC1=Cc2cc(S(C)(=O)=O)ccc2/C1=C\c1ccccc1CCO
InChIInChI=1S/C22H24O3S/c1-3-6-18-13-19-14-20(26(2,24)25)9-10-21(19)22(18)15-17-8-5-4-7-16(17)11-12-23/h4-5,7-10,13-15,23H,3,6,11-12H2,1-2H3/b22-15-
InChIKeyHFGFYVJKZYPPNI-JCMHNJIXSA-N
XLogP4.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(Z)-(5-methylsulfonyl-2-propylinden-1-ylidene)methyl]benzoate
CID 139792608
2-[2-(ethylamino)-4-methylsulfonylphenyl]ethanol
CID 70333749
5-methylsulfonyl-2-phenylphenol
CID 170991477
5-methylsulfonyl-2-propyl-1H-indene
CID 150047261
methanesulfonic acid;2-(2-phenylphenyl)ethanol
CID 87871544
(3E)-6-ethoxy-3-[(2-propylphenyl)methylidene]-1H-indol-2-one
CID 58662775
2-(3-methylsulfonylphenyl)ethanol
CID 68870168
2-[2-methyl-5-(4-methylsulfonylphenyl)-1-phenylpyrrol-3-yl]ethanol
CID 66693208
4-methylsulfonyl-1,2-diphenylbenzene;sulfane;trifluoromethanesulfonic acid
CID 174583563
4-(4-methylsulfonylphenyl)naphthalene-1-carbaldehyde
CID 171127399
N-[2-(2-hydroxyethyl)phenyl]methanesulfonamide
CID 117306913
N-methyl-3-methylsulfonyl-N-[(2-phenylphenyl)methyl]benzamide
CID 60618534

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-(5-methylsulfonyl-2-propylinden-1-ylidene)methyl]phenyl]ethanol?
The IUPAC name of 2-[2-[(Z)-(5-methylsulfonyl-2-propylinden-1-ylidene)methyl]phenyl]ethanol (CID 139792670) is 2-[2-[(Z)-(5-methylsulfonyl-2-propylinden-1-ylidene)methyl]phenyl]ethanol.
What is the SMILES notation for 2-[2-[(Z)-(5-methylsulfonyl-2-propylinden-1-ylidene)methyl]phenyl]ethanol?
The canonical SMILES for 2-[2-[(Z)-(5-methylsulfonyl-2-propylinden-1-ylidene)methyl]phenyl]ethanol is CCCC1=Cc2cc(S(C)(=O)=O)ccc2/C1=C\c1ccccc1CCO.
What is the InChIKey of 2-[2-[(Z)-(5-methylsulfonyl-2-propylinden-1-ylidene)methyl]phenyl]ethanol?
The InChIKey is HFGFYVJKZYPPNI-JCMHNJIXSA-N. The full InChI is InChI=1S/C22H24O3S/c1-3-6-18-13-19-14-20(26(2,24)25)9-10-21(19)22(18)15-17-8-5-4-7-16(17)11-12-23/h4-5,7-10,13-15,23H,3,6,11-12H2,1-2H3/b22-15-.
What are the key properties of 2-[2-[(Z)-(5-methylsulfonyl-2-propylinden-1-ylidene)methyl]phenyl]ethanol?
2-[2-[(Z)-(5-methylsulfonyl-2-propylinden-1-ylidene)methyl]phenyl]ethanol has a molecular weight of 368.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-(5-methylsulfonyl-2-propylinden-1-ylidene)methyl]phenyl]ethanol is sourced from PubChem (CID 139792670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).