2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol

C16H21FO2 — CID 114714168

IUPAC2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(C2CCCCCC2)Oc2ccc(F)cc21
InChIInChI=1S/C16H21FO2/c17-12-7-8-15-13(9-12)14(18)10-16(19-15)11-5-3-1-2-4-6-11/h7-9,11,14,16,18H,1-6,10H2
InChIKeyCPDLXQIGHYZGGH-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.98
Rot. Bonds1

About 2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol

2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714168) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714168
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(C2CCCCCC2)Oc2ccc(F)cc21
InChIInChI=1S/C16H21FO2/c17-12-7-8-15-13(9-12)14(18)10-16(19-15)11-5-3-1-2-4-6-11/h7-9,11,14,16,18H,1-6,10H2
InChIKeyCPDLXQIGHYZGGH-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715832
(4R)-6-chloro-2-cycloheptyl-3,4-dihydro-2H-chromen-4-ol
CID 104949265
6-chloro-2-cyclopentyl-3,4-dihydro-2H-chromen-4-ol
CID 114714546
2-cyclohexyl-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710547
6-chloro-2-cyclobutyl-3,4-dihydro-2H-chromen-4-ol
CID 114714497
(4S)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104951928
(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol
CID 104951380
2-(oxan-4-yl)-3,4-dihydro-2H-chromene-4,6-diol
CID 142380263
7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715803
(4S)-2-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948099
(4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104949234
(4S)-6-bromo-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951316

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 114714168) is 2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol is OC1CC(C2CCCCCC2)Oc2ccc(F)cc21.
What is the InChIKey of 2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is CPDLXQIGHYZGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO2/c17-12-7-8-15-13(9-12)14(18)10-16(19-15)11-5-3-1-2-4-6-11/h7-9,11,14,16,18H,1-6,10H2.
What are the key properties of 2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 264.34 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).