(2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene

C17H13F3O3 — CID 141004210

IUPAC(2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene
SMILESCOc1ccc(Oc2ccc3c(c2)C=C[C@@H](C(F)(F)F)O3)cc1
InChIInChI=1S/C17H13F3O3/c1-21-12-3-5-13(6-4-12)22-14-7-8-15-11(10-14)2-9-16(23-15)17(18,19)20/h2-10,16H,1H3/t16-/m0/s1
InChIKeySLRSHKFYGDYVEI-INIZCTEOSA-N
MW322.28 g/mol
LogP4.82
Rot. Bonds3

About (2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene

(2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene (PubChem CID 141004210) has the molecular formula C17H13F3O3 and a molecular weight of 322.28 g/mol. Its IUPAC name is (2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene.

Molecular Properties

Compound Name(2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene
PubChem CID141004210
Molecular FormulaC17H13F3O3
Molecular Weight322.28 g/mol
Exact Mass322.08
IUPAC Name(2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene
SMILESCOc1ccc(Oc2ccc3c(c2)C=C[C@@H](C(F)(F)F)O3)cc1
InChIInChI=1S/C17H13F3O3/c1-21-12-3-5-13(6-4-12)22-14-7-8-15-11(10-14)2-9-16(23-15)17(18,19)20/h2-10,16H,1H3/t16-/m0/s1
InChIKeySLRSHKFYGDYVEI-INIZCTEOSA-N
XLogP4.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 54486081
(2R)-2-(trifluoromethyl)-7-(2,3,5-trimethylphenoxy)-2H-chromene
CID 141098201
methyl 3-[4-[[6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]oxy]phenyl]propanoate
CID 141097858
6-chloro-7-iodo-2-(trifluoromethyl)-2H-chromene
CID 139923507
5-methoxy-2-[(2-phenyl-2H-chromen-6-yl)oxy]aniline
CID 170553096
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
2-[6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromen-8-yl]propan-2-ol
CID 91394034
1-tert-butyl-4-(4-tert-butylphenoxy)benzene;1-tert-butyl-4-(4-tert-butylphenyl)benzene;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenoxy]benzene;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]benzene;1-methoxy-4-(4-methoxyphenyl)benzene
CID 158471976
6-methoxy-1,2-benzodioxine
CID 87680387
(2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 124673363
2-(fluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-2H-chromene-3-carboxylic acid
CID 151740428
2-[3-chloro-4-(trifluoromethyl)phenyl]-6-methoxy-2H-chromene-3-carboxylic acid
CID 44611201

Frequently Asked Questions

What is the IUPAC name of (2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene?
The IUPAC name of (2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene (CID 141004210) is (2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene.
What is the SMILES notation for (2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene?
The canonical SMILES for (2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene is COc1ccc(Oc2ccc3c(c2)C=C[C@@H](C(F)(F)F)O3)cc1.
What is the InChIKey of (2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene?
The InChIKey is SLRSHKFYGDYVEI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H13F3O3/c1-21-12-3-5-13(6-4-12)22-14-7-8-15-11(10-14)2-9-16(23-15)17(18,19)20/h2-10,16H,1H3/t16-/m0/s1.
What are the key properties of (2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene?
(2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene has a molecular weight of 322.28 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene is sourced from PubChem (CID 141004210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).