(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-ol

C16H13BrClFO2 — CID 104951738

IUPAC(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-ol
SMILESCC1(c2ccc(Br)cc2Cl)C[C@@H](O)c2ccc(F)cc2O1
InChIInChI=1S/C16H13BrClFO2/c1-16(12-5-2-9(17)6-13(12)18)8-14(20)11-4-3-10(19)7-15(11)21-16/h2-7,14,20H,8H2,1H3/t14-,16?/m1/s1
InChIKeyYYNQMVDOTMXJTJ-IURRXHLWSA-N
MW371.63 g/mol
LogP4.97
Rot. Bonds1

About (4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-ol

(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-ol (PubChem CID 104951738) has the molecular formula C16H13BrClFO2 and a molecular weight of 371.63 g/mol. Its IUPAC name is (4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-ol
PubChem CID104951738
Molecular FormulaC16H13BrClFO2
Molecular Weight371.63 g/mol
Exact Mass369.98
IUPAC Name(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-ol
SMILESCC1(c2ccc(Br)cc2Cl)C[C@@H](O)c2ccc(F)cc2O1
InChIInChI=1S/C16H13BrClFO2/c1-16(12-5-2-9(17)6-13(12)18)8-14(20)11-4-3-10(19)7-15(11)21-16/h2-7,14,20H,8H2,1H3/t14-,16?/m1/s1
InChIKeyYYNQMVDOTMXJTJ-IURRXHLWSA-N
XLogP4.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.63
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-amine
CID 104947789
(4S)-7-fluoro-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-ol
CID 104951830
(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951757
(4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 106664630
(4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol
CID 104951762
(4S)-7-bromo-2-ethyl-2-methyl-3,4-dihydrochromen-4-ol
CID 104949705
(4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951789
(4S)-7-bromo-2,2-diethyl-3,4-dihydrochromen-4-ol
CID 104949560
(4S)-7-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol
CID 104949578
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
2-(4-bromophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715787

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-ol?
The IUPAC name of (4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-ol (CID 104951738) is (4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-ol is CC1(c2ccc(Br)cc2Cl)C[C@@H](O)c2ccc(F)cc2O1.
What is the InChIKey of (4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-ol?
The InChIKey is YYNQMVDOTMXJTJ-IURRXHLWSA-N. The full InChI is InChI=1S/C16H13BrClFO2/c1-16(12-5-2-9(17)6-13(12)18)8-14(20)11-4-3-10(19)7-15(11)21-16/h2-7,14,20H,8H2,1H3/t14-,16?/m1/s1.
What are the key properties of (4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-ol?
(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-ol has a molecular weight of 371.63 g/mol, XLogP of 4.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 104951738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).