5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-ol

C10H11FO2 — CID 102990727

IUPAC5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc(F)c2c1OCCC2O
InChIInChI=1S/C10H11FO2/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-3,8,12H,4-5H2,1H3
InChIKeyAIIGTLSQILZHLZ-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.95
Rot. Bonds

About 5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-ol

5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 102990727) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID102990727
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc(F)c2c1OCCC2O
InChIInChI=1S/C10H11FO2/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-3,8,12H,4-5H2,1H3
InChIKeyAIIGTLSQILZHLZ-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-7-methyl-2,3-dihydro-1-benzofuran-3-ol
CID 102990724
(4R)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 130501634
(4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55275271
(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol
CID 107287207
(5R)-6-fluoro-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 102990333
(4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine
CID 78961066
6-bromo-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 107287206
5,8-difluoro-3,4-dihydro-2H-chromen-4-amine
CID 59704967
N-ethyl-6-fluoro-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 102990299
(4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol
CID 15420539
(5S)-9-fluoro-6-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79014270
(4S)-4-(2,6-difluoro-3-methylphenyl)-1,3-oxazinan-2-one
CID 171185840

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-ol (CID 102990727) is 5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-ol is Cc1ccc(F)c2c1OCCC2O.
What is the InChIKey of 5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is AIIGTLSQILZHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-3,8,12H,4-5H2,1H3.
What are the key properties of 5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-ol?
5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 182.19 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 102990727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).