5-fluoro-4-methyl-2,3-dihydrochromen-4-ol

C10H11FO2 — CID 126963399

IUPAC5-fluoro-4-methyl-2,3-dihydrochromen-4-ol
SMILESCC1(O)CCOc2cccc(F)c21
InChIInChI=1S/C10H11FO2/c1-10(12)5-6-13-8-4-2-3-7(11)9(8)10/h2-4,12H,5-6H2,1H3
InChIKeyNGNOJJZFTABZNG-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.82
Rot. Bonds

About 5-fluoro-4-methyl-2,3-dihydrochromen-4-ol

5-fluoro-4-methyl-2,3-dihydrochromen-4-ol (PubChem CID 126963399) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2,3-dihydrochromen-4-ol.

Molecular Properties

Compound Name5-fluoro-4-methyl-2,3-dihydrochromen-4-ol
PubChem CID126963399
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name5-fluoro-4-methyl-2,3-dihydrochromen-4-ol
SMILESCC1(O)CCOc2cccc(F)c21
InChIInChI=1S/C10H11FO2/c1-10(12)5-6-13-8-4-2-3-7(11)9(8)10/h2-4,12H,5-6H2,1H3
InChIKeyNGNOJJZFTABZNG-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-fluoro-4-methyl-2,3-dihydrochromene
CID 84728489
4,4-difluoro-5-methyl-2,3-dihydrochromene
CID 84718816
5-fluoro-9-methyl-12-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaene
CID 132534624
5-chloro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol
CID 142600990
8-fluoro-N,4-dimethyl-2,3-dihydrochromen-4-amine
CID 82606226
4-(4-bromo-3-fluorophenyl)-2,3-dihydrochromen-4-ol
CID 175981158
[4-(2-fluoroanilino)-2,3-dihydrochromen-4-yl]methanol
CID 61049905
1-(2-fluoro-6-methoxyphenyl)cyclopropan-1-ol
CID 65434652
1-(2-amino-6-fluorophenyl)cyclohexan-1-ol
CID 117104236
1-[1-(2,6-difluorophenyl)cyclopropyl]ethanone
CID 83808662
11-methyl-5,7,14-trioxapentacyclo[9.7.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,15,17-hexaene
CID 101379229
4-[(2,3-difluorophenyl)methyl]-2,3-dihydrochromene-4-carbonitrile
CID 65415725

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2,3-dihydrochromen-4-ol?
The IUPAC name of 5-fluoro-4-methyl-2,3-dihydrochromen-4-ol (CID 126963399) is 5-fluoro-4-methyl-2,3-dihydrochromen-4-ol.
What is the SMILES notation for 5-fluoro-4-methyl-2,3-dihydrochromen-4-ol?
The canonical SMILES for 5-fluoro-4-methyl-2,3-dihydrochromen-4-ol is CC1(O)CCOc2cccc(F)c21.
What is the InChIKey of 5-fluoro-4-methyl-2,3-dihydrochromen-4-ol?
The InChIKey is NGNOJJZFTABZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-10(12)5-6-13-8-4-2-3-7(11)9(8)10/h2-4,12H,5-6H2,1H3.
What are the key properties of 5-fluoro-4-methyl-2,3-dihydrochromen-4-ol?
5-fluoro-4-methyl-2,3-dihydrochromen-4-ol has a molecular weight of 182.19 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2,3-dihydrochromen-4-ol is sourced from PubChem (CID 126963399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).