(4R)-2-(2-chloro-6-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol

C16H14ClFO3 — CID 104948265

IUPAC(4R)-2-(2-chloro-6-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1cccc(Cl)c1C1C[C@@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C16H14ClFO3/c1-20-14-4-2-3-11(17)16(14)15-8-12(19)10-7-9(18)5-6-13(10)21-15/h2-7,12,15,19H,8H2,1H3/t12-,15?/m1/s1
InChIKeyYHJXDJXTNCRQDF-KEKZHRQWSA-N
MW308.74 g/mol
LogP4.04
Rot. Bonds2

About (4R)-2-(2-chloro-6-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol

(4R)-2-(2-chloro-6-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104948265) has the molecular formula C16H14ClFO3 and a molecular weight of 308.74 g/mol. Its IUPAC name is (4R)-2-(2-chloro-6-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-2-(2-chloro-6-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID104948265
Molecular FormulaC16H14ClFO3
Molecular Weight308.74 g/mol
Exact Mass308.06
IUPAC Name(4R)-2-(2-chloro-6-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1cccc(Cl)c1C1C[C@@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C16H14ClFO3/c1-20-14-4-2-3-11(17)16(14)15-8-12(19)10-7-9(18)5-6-13(10)21-15/h2-7,12,15,19H,8H2,1H3/t12-,15?/m1/s1
InChIKeyYHJXDJXTNCRQDF-KEKZHRQWSA-N
XLogP4.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951630
(4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948273
(4S)-2-(5-bromo-2-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948223
(4S)-2-(2-chloro-6-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946462
(4S)-2-(3-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948114
6-bromo-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715610
6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714479
(4R)-6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949171
2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714106
(4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104948044
(4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948056
(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951757

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2-chloro-6-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-2-(2-chloro-6-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 104948265) is (4R)-2-(2-chloro-6-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-2-(2-chloro-6-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-2-(2-chloro-6-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol is COc1cccc(Cl)c1C1C[C@@H](O)c2cc(F)ccc2O1.
What is the InChIKey of (4R)-2-(2-chloro-6-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is YHJXDJXTNCRQDF-KEKZHRQWSA-N. The full InChI is InChI=1S/C16H14ClFO3/c1-20-14-4-2-3-11(17)16(14)15-8-12(19)10-7-9(18)5-6-13(10)21-15/h2-7,12,15,19H,8H2,1H3/t12-,15?/m1/s1.
What are the key properties of (4R)-2-(2-chloro-6-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
(4R)-2-(2-chloro-6-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 308.74 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2-chloro-6-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104948265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).