5-[(1R)-5-(2-chloro-4-hydroxyphenoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione

C18H14ClNO5 — CID 143273994

IUPAC5-[(1R)-5-(2-chloro-4-hydroxyphenoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C([C@@H]2CCc3cc(Oc4ccc(O)cc4Cl)ccc32)O1
InChIInChI=1S/C18H14ClNO5/c19-14-8-10(21)2-6-15(14)24-11-3-5-12-9(7-11)1-4-13(12)16-17(22)20-18(23)25-16/h2-3,5-8,13,16,21H,1,4H2,(H,20,22,23)/t13-,16?/m1/s1
InChIKeyDZIRKOKDNXQRHD-JBZHPUCOSA-N
MW359.77 g/mol
LogP3.50
Rot. Bonds3

About 5-[(1R)-5-(2-chloro-4-hydroxyphenoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione

5-[(1R)-5-(2-chloro-4-hydroxyphenoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 143273994) has the molecular formula C18H14ClNO5 and a molecular weight of 359.77 g/mol. Its IUPAC name is 5-[(1R)-5-(2-chloro-4-hydroxyphenoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1R)-5-(2-chloro-4-hydroxyphenoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione
PubChem CID143273994
Molecular FormulaC18H14ClNO5
Molecular Weight359.77 g/mol
Exact Mass359.06
IUPAC Name5-[(1R)-5-(2-chloro-4-hydroxyphenoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C([C@@H]2CCc3cc(Oc4ccc(O)cc4Cl)ccc32)O1
InChIInChI=1S/C18H14ClNO5/c19-14-8-10(21)2-6-15(14)24-11-3-5-12-9(7-11)1-4-13(12)16-17(22)20-18(23)25-16/h2-3,5-8,13,16,21H,1,4H2,(H,20,22,23)/t13-,16?/m1/s1
InChIKeyDZIRKOKDNXQRHD-JBZHPUCOSA-N
XLogP3.50
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-[(1R)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione
CID 58005316
5-[(1R)-5-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione
CID 58005460
(5S)-5-[(1R)-5-(4-aminoisoquinolin-1-yl)oxy-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione
CID 70867517
(5R)-5-[(1R)-6-(4-aminonaphthalen-1-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione
CID 89154929
5-[(4R)-7-[2-chloro-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione
CID 11704611
(5S)-5-[(1R)-6-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione
CID 58005332
5-[(1R)-5-[2-chloro-4-[(dimethylamino)methyl]phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
CID 11596862
5-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 70867552
5-[(1R)-5-[2-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-oxazolidin-4-one
CID 162552800
5-[(4R)-7-[2-methyl-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione
CID 11718420
5-[(1R)-5-(7-chloroquinolin-4-yl)oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
CID 24955535
5-[(1R)-5-[(3-chloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione;(2Z)-2-ethylidene-5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-4-one
CID 143665432

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-5-(2-chloro-4-hydroxyphenoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[(1R)-5-(2-chloro-4-hydroxyphenoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione (CID 143273994) is 5-[(1R)-5-(2-chloro-4-hydroxyphenoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[(1R)-5-(2-chloro-4-hydroxyphenoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[(1R)-5-(2-chloro-4-hydroxyphenoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione is O=C1NC(=O)C([C@@H]2CCc3cc(Oc4ccc(O)cc4Cl)ccc32)O1.
What is the InChIKey of 5-[(1R)-5-(2-chloro-4-hydroxyphenoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is DZIRKOKDNXQRHD-JBZHPUCOSA-N. The full InChI is InChI=1S/C18H14ClNO5/c19-14-8-10(21)2-6-15(14)24-11-3-5-12-9(7-11)1-4-13(12)16-17(22)20-18(23)25-16/h2-3,5-8,13,16,21H,1,4H2,(H,20,22,23)/t13-,16?/m1/s1.
What are the key properties of 5-[(1R)-5-(2-chloro-4-hydroxyphenoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione?
5-[(1R)-5-(2-chloro-4-hydroxyphenoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 359.77 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-5-(2-chloro-4-hydroxyphenoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 143273994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).