(1S)-2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-7-(trifluoromethyl)-1,3-dihydroinden-1-ol

C18H15F5O3 — CID 134248619

IUPAC(1S)-2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-7-(trifluoromethyl)-1,3-dihydroinden-1-ol
SMILESCOc1ccc(COc2ccc(C(F)(F)F)c3c2CC(F)(F)[C@H]3O)cc1
InChIInChI=1S/C18H15F5O3/c1-25-11-4-2-10(3-5-11)9-26-14-7-6-13(18(21,22)23)15-12(14)8-17(19,20)16(15)24/h2-7,16,24H,8-9H2,1H3/t16-/m0/s1
InChIKeyYJPFCRJQYVUVBB-INIZCTEOSA-N
MW374.31 g/mol
LogP4.52
Rot. Bonds4

About (1S)-2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-7-(trifluoromethyl)-1,3-dihydroinden-1-ol

(1S)-2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-7-(trifluoromethyl)-1,3-dihydroinden-1-ol (PubChem CID 134248619) has the molecular formula C18H15F5O3 and a molecular weight of 374.31 g/mol. Its IUPAC name is (1S)-2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-7-(trifluoromethyl)-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name(1S)-2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-7-(trifluoromethyl)-1,3-dihydroinden-1-ol
PubChem CID134248619
Molecular FormulaC18H15F5O3
Molecular Weight374.31 g/mol
Exact Mass374.09
IUPAC Name(1S)-2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-7-(trifluoromethyl)-1,3-dihydroinden-1-ol
SMILESCOc1ccc(COc2ccc(C(F)(F)F)c3c2CC(F)(F)[C@H]3O)cc1
InChIInChI=1S/C18H15F5O3/c1-25-11-4-2-10(3-5-11)9-26-14-7-6-13(18(21,22)23)15-12(14)8-17(19,20)16(15)24/h2-7,16,24H,8-9H2,1H3/t16-/m0/s1
InChIKeyYJPFCRJQYVUVBB-INIZCTEOSA-N
XLogP4.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroindene-1,4-diol
CID 145153676
1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone
CID 59384444
1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 115582214
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
CID 107691631
2,5-dichloro-6-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)pyridine
CID 134106504
1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 71248787
2-hydroxy-5-(trifluoromethyl)benzaldehyde;2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)benzaldehyde
CID 161167132
5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 19627149
1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene
CID 54397178
2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 176890348
4-[[2-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 154276650

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-7-(trifluoromethyl)-1,3-dihydroinden-1-ol?
The IUPAC name of (1S)-2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-7-(trifluoromethyl)-1,3-dihydroinden-1-ol (CID 134248619) is (1S)-2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-7-(trifluoromethyl)-1,3-dihydroinden-1-ol.
What is the SMILES notation for (1S)-2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-7-(trifluoromethyl)-1,3-dihydroinden-1-ol?
The canonical SMILES for (1S)-2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-7-(trifluoromethyl)-1,3-dihydroinden-1-ol is COc1ccc(COc2ccc(C(F)(F)F)c3c2CC(F)(F)[C@H]3O)cc1.
What is the InChIKey of (1S)-2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-7-(trifluoromethyl)-1,3-dihydroinden-1-ol?
The InChIKey is YJPFCRJQYVUVBB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H15F5O3/c1-25-11-4-2-10(3-5-11)9-26-14-7-6-13(18(21,22)23)15-12(14)8-17(19,20)16(15)24/h2-7,16,24H,8-9H2,1H3/t16-/m0/s1.
What are the key properties of (1S)-2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-7-(trifluoromethyl)-1,3-dihydroinden-1-ol?
(1S)-2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-7-(trifluoromethyl)-1,3-dihydroinden-1-ol has a molecular weight of 374.31 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-7-(trifluoromethyl)-1,3-dihydroinden-1-ol is sourced from PubChem (CID 134248619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).