2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol

C14H17FO2 — CID 114715832

IUPAC2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(C2CCCC2)Oc2cc(F)ccc21
InChIInChI=1S/C14H17FO2/c15-10-5-6-11-12(16)8-13(17-14(11)7-10)9-3-1-2-4-9/h5-7,9,12-13,16H,1-4,8H2
InChIKeyRJWFURFORPWKLO-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.20
Rot. Bonds1

About 2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol

2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715832) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715832
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(C2CCCC2)Oc2cc(F)ccc21
InChIInChI=1S/C14H17FO2/c15-10-5-6-11-12(16)8-13(17-14(11)7-10)9-3-1-2-4-9/h5-7,9,12-13,16H,1-4,8H2
InChIKeyRJWFURFORPWKLO-UHFFFAOYSA-N
XLogP3.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 114715832) is 2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol is OC1CC(C2CCCC2)Oc2cc(F)ccc21.
What is the InChIKey of 2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is RJWFURFORPWKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c15-10-5-6-11-12(16)8-13(17-14(11)7-10)9-3-1-2-4-9/h5-7,9,12-13,16H,1-4,8H2.
What are the key properties of 2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 236.29 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).