4-[(4-fluorophenyl)sulfinylmethyl]-3,4-dihydro-2H-chromene

C16H15FO2S — CID 104771979

IUPAC4-[(4-fluorophenyl)sulfinylmethyl]-3,4-dihydro-2H-chromene
SMILESO=S(CC1CCOc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C16H15FO2S/c17-13-5-7-14(8-6-13)20(18)11-12-9-10-19-16-4-2-1-3-15(12)16/h1-8,12H,9-11H2
InChIKeyPBTFRZYGGZWFSC-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.50
Rot. Bonds3

About 4-[(4-fluorophenyl)sulfinylmethyl]-3,4-dihydro-2H-chromene

4-[(4-fluorophenyl)sulfinylmethyl]-3,4-dihydro-2H-chromene (PubChem CID 104771979) has the molecular formula C16H15FO2S and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfinylmethyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfinylmethyl]-3,4-dihydro-2H-chromene
PubChem CID104771979
Molecular FormulaC16H15FO2S
Molecular Weight290.36 g/mol
Exact Mass290.08
IUPAC Name4-[(4-fluorophenyl)sulfinylmethyl]-3,4-dihydro-2H-chromene
SMILESO=S(CC1CCOc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C16H15FO2S/c17-13-5-7-14(8-6-13)20(18)11-12-9-10-19-16-4-2-1-3-15(12)16/h1-8,12H,9-11H2
InChIKeyPBTFRZYGGZWFSC-UHFFFAOYSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771987
3-(3,4-dihydro-2H-chromen-4-ylmethylsulfinylmethyl)azetidine
CID 113451582
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide
CID 110709244
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
2-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-fluoroaniline
CID 107635746
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
3-(3,4-dihydro-2H-chromen-4-yl)propanal
CID 104771097
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4-fluorophenoxy)piperidine;hydrochloride
CID 134230439
1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidine;4-fluorophenol
CID 142283431

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfinylmethyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 4-[(4-fluorophenyl)sulfinylmethyl]-3,4-dihydro-2H-chromene (CID 104771979) is 4-[(4-fluorophenyl)sulfinylmethyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfinylmethyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 4-[(4-fluorophenyl)sulfinylmethyl]-3,4-dihydro-2H-chromene is O=S(CC1CCOc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfinylmethyl]-3,4-dihydro-2H-chromene?
The InChIKey is PBTFRZYGGZWFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2S/c17-13-5-7-14(8-6-13)20(18)11-12-9-10-19-16-4-2-1-3-15(12)16/h1-8,12H,9-11H2.
What are the key properties of 4-[(4-fluorophenyl)sulfinylmethyl]-3,4-dihydro-2H-chromene?
4-[(4-fluorophenyl)sulfinylmethyl]-3,4-dihydro-2H-chromene has a molecular weight of 290.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfinylmethyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 104771979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).