(4S)-7-fluoro-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-ol

C14H17FO2 — CID 104951830

IUPAC(4S)-7-fluoro-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-ol
SMILESCC1(C2(C)C[C@H](O)c3ccc(F)cc3O2)CC1
InChIInChI=1S/C14H17FO2/c1-13(5-6-13)14(2)8-11(16)10-4-3-9(15)7-12(10)17-14/h3-4,7,11,16H,5-6,8H2,1-2H3/t11-,14?/m0/s1
InChIKeyQGTYCMACEMAOQH-ZSOXZCCMSA-N
MW236.29 g/mol
LogP3.20
Rot. Bonds1

About (4S)-7-fluoro-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-ol

(4S)-7-fluoro-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-ol (PubChem CID 104951830) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is (4S)-7-fluoro-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4S)-7-fluoro-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-ol
PubChem CID104951830
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name(4S)-7-fluoro-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-ol
SMILESCC1(C2(C)C[C@H](O)c3ccc(F)cc3O2)CC1
InChIInChI=1S/C14H17FO2/c1-13(5-6-13)14(2)8-11(16)10-4-3-9(15)7-12(10)17-14/h3-4,7,11,16H,5-6,8H2,1-2H3/t11-,14?/m0/s1
InChIKeyQGTYCMACEMAOQH-ZSOXZCCMSA-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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Related Compounds

(4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol
CID 104951762
(4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951789
(4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 106664630
7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 112549056
(4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104951801
(4R)-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 104951606
(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 104951738
4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715684
(4S)-7-fluorospiro[3,4-dihydrochromene-2,3'-oxane]-4-ol
CID 104951816
(4R)-7-fluoro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104951708
(4S)-2-ethyl-7-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104951969
(4R)-2-ethyl-7-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104951740

Frequently Asked Questions

What is the IUPAC name of (4S)-7-fluoro-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-ol?
The IUPAC name of (4S)-7-fluoro-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-ol (CID 104951830) is (4S)-7-fluoro-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4S)-7-fluoro-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4S)-7-fluoro-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-ol is CC1(C2(C)C[C@H](O)c3ccc(F)cc3O2)CC1.
What is the InChIKey of (4S)-7-fluoro-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-ol?
The InChIKey is QGTYCMACEMAOQH-ZSOXZCCMSA-N. The full InChI is InChI=1S/C14H17FO2/c1-13(5-6-13)14(2)8-11(16)10-4-3-9(15)7-12(10)17-14/h3-4,7,11,16H,5-6,8H2,1-2H3/t11-,14?/m0/s1.
What are the key properties of (4S)-7-fluoro-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-ol?
(4S)-7-fluoro-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-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 (4S)-7-fluoro-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 104951830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).