(4S)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

C15H19FO3 — CID 106875074

IUPAC(4S)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCOC1CCCCC12C[C@H](O)c1cc(F)ccc1O2
InChIInChI=1S/C15H19FO3/c1-18-14-4-2-3-7-15(14)9-12(17)11-8-10(16)5-6-13(11)19-15/h5-6,8,12,14,17H,2-4,7,9H2,1H3/t12-,14?,15?/m0/s1
InChIKeyFPLAVUCYTNCRJH-GRTSSRMGSA-N
MW266.31 g/mol
LogP2.97
Rot. Bonds1

About (4S)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

(4S)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 106875074) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is (4S)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name(4S)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID106875074
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name(4S)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCOC1CCCCC12C[C@H](O)c1cc(F)ccc1O2
InChIInChI=1S/C15H19FO3/c1-18-14-4-2-3-7-15(14)9-12(17)11-8-10(16)5-6-13(11)19-15/h5-6,8,12,14,17H,2-4,7,9H2,1H3/t12-,14?,15?/m0/s1
InChIKeyFPLAVUCYTNCRJH-GRTSSRMGSA-N
XLogP2.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol with MolForge

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Related Compounds

(4R)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875145
(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
CID 104948441
6-bromo-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875135
(4R)-2'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951551
(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 10888842
(4R)-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 104951606
(4S)-6-fluoro-2',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944135
6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714190
(4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104948064
6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715465
2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 114714151
(4S)-2-cyclopropyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol
CID 104948041

Frequently Asked Questions

What is the IUPAC name of (4S)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of (4S)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 106875074) is (4S)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for (4S)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for (4S)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is COC1CCCCC12C[C@H](O)c1cc(F)ccc1O2.
What is the InChIKey of (4S)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is FPLAVUCYTNCRJH-GRTSSRMGSA-N. The full InChI is InChI=1S/C15H19FO3/c1-18-14-4-2-3-7-15(14)9-12(17)11-8-10(16)5-6-13(11)19-15/h5-6,8,12,14,17H,2-4,7,9H2,1H3/t12-,14?,15?/m0/s1.
What are the key properties of (4S)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
(4S)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 266.31 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 106875074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).