(4S)-2-cyclopropyl-6-fluoro-2-propyl-3,4-dihydrochromen-4-ol

C15H19FO2 — CID 114276167

IUPAC(4S)-2-cyclopropyl-6-fluoro-2-propyl-3,4-dihydrochromen-4-ol
SMILESCCCC1(C2CC2)C[C@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C15H19FO2/c1-2-7-15(10-3-4-10)9-13(17)12-8-11(16)5-6-14(12)18-15/h5-6,8,10,13,17H,2-4,7,9H2,1H3/t13-,15?/m0/s1
InChIKeyYZMRKXDDHFAYHD-CFMCSPIPSA-N
MW250.31 g/mol
LogP3.59
Rot. Bonds3

About (4S)-2-cyclopropyl-6-fluoro-2-propyl-3,4-dihydrochromen-4-ol

(4S)-2-cyclopropyl-6-fluoro-2-propyl-3,4-dihydrochromen-4-ol (PubChem CID 114276167) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is (4S)-2-cyclopropyl-6-fluoro-2-propyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4S)-2-cyclopropyl-6-fluoro-2-propyl-3,4-dihydrochromen-4-ol
PubChem CID114276167
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name(4S)-2-cyclopropyl-6-fluoro-2-propyl-3,4-dihydrochromen-4-ol
SMILESCCCC1(C2CC2)C[C@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C15H19FO2/c1-2-7-15(10-3-4-10)9-13(17)12-8-11(16)5-6-14(12)18-15/h5-6,8,10,13,17H,2-4,7,9H2,1H3/t13-,15?/m0/s1
InChIKeyYZMRKXDDHFAYHD-CFMCSPIPSA-N
XLogP3.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2-cyclopropyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol
CID 104948041
2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 114714151
(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 10888842
2-benzyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol
CID 114714156
(4R)-2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol
CID 104950033
2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol
CID 114714855
(4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104948064
(4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 104948348
(4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 68594998
6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714190
(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
CID 104948441
(4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
CID 104948122

Frequently Asked Questions

What is the IUPAC name of (4S)-2-cyclopropyl-6-fluoro-2-propyl-3,4-dihydrochromen-4-ol?
The IUPAC name of (4S)-2-cyclopropyl-6-fluoro-2-propyl-3,4-dihydrochromen-4-ol (CID 114276167) is (4S)-2-cyclopropyl-6-fluoro-2-propyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4S)-2-cyclopropyl-6-fluoro-2-propyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4S)-2-cyclopropyl-6-fluoro-2-propyl-3,4-dihydrochromen-4-ol is CCCC1(C2CC2)C[C@H](O)c2cc(F)ccc2O1.
What is the InChIKey of (4S)-2-cyclopropyl-6-fluoro-2-propyl-3,4-dihydrochromen-4-ol?
The InChIKey is YZMRKXDDHFAYHD-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H19FO2/c1-2-7-15(10-3-4-10)9-13(17)12-8-11(16)5-6-14(12)18-15/h5-6,8,10,13,17H,2-4,7,9H2,1H3/t13-,15?/m0/s1.
What are the key properties of (4S)-2-cyclopropyl-6-fluoro-2-propyl-3,4-dihydrochromen-4-ol?
(4S)-2-cyclopropyl-6-fluoro-2-propyl-3,4-dihydrochromen-4-ol has a molecular weight of 250.31 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-cyclopropyl-6-fluoro-2-propyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 114276167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).