4-[[4-[[1-(2,3-dihydro-1-benzofuran-6-yloxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]-3-ethynylphenyl]methyl]morpholine

C30H28FNO4 — CID 123758268

IUPAC4-[[4-[[1-(2,3-dihydro-1-benzofuran-6-yloxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]-3-ethynylphenyl]methyl]morpholine
SMILESC#Cc1cc(CN2CCOCC2)ccc1Oc1ccc(F)c2c1CCC2Oc1ccc2c(c1)OCC2
InChIInChI=1S/C30H28FNO4/c1-2-21-17-20(19-32-12-15-33-16-13-32)3-8-26(21)36-27-10-7-25(31)30-24(27)6-9-28(30)35-23-5-4-22-11-14-34-29(22)18-23/h1,3-5,7-8,10,17-18,28H,6,9,11-16,19H2
InChIKeyNIIWBWQRSQQLTR-UHFFFAOYSA-N
MW485.56 g/mol
LogP5.43
Rot. Bonds6

About 4-[[4-[[1-(2,3-dihydro-1-benzofuran-6-yloxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]-3-ethynylphenyl]methyl]morpholine

4-[[4-[[1-(2,3-dihydro-1-benzofuran-6-yloxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]-3-ethynylphenyl]methyl]morpholine (PubChem CID 123758268) has the molecular formula C30H28FNO4 and a molecular weight of 485.56 g/mol. Its IUPAC name is 4-[[4-[[1-(2,3-dihydro-1-benzofuran-6-yloxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]-3-ethynylphenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[[1-(2,3-dihydro-1-benzofuran-6-yloxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]-3-ethynylphenyl]methyl]morpholine
PubChem CID123758268
Molecular FormulaC30H28FNO4
Molecular Weight485.56 g/mol
Exact Mass485.20
IUPAC Name4-[[4-[[1-(2,3-dihydro-1-benzofuran-6-yloxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]-3-ethynylphenyl]methyl]morpholine
SMILESC#Cc1cc(CN2CCOCC2)ccc1Oc1ccc(F)c2c1CCC2Oc1ccc2c(c1)OCC2
InChIInChI=1S/C30H28FNO4/c1-2-21-17-20(19-32-12-15-33-16-13-32)3-8-26(21)36-27-10-7-25(31)30-24(27)6-9-28(30)35-23-5-4-22-11-14-34-29(22)18-23/h1,3-5,7-8,10,17-18,28H,6,9,11-16,19H2
InChIKeyNIIWBWQRSQQLTR-UHFFFAOYSA-N
XLogP5.43
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.56
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[[4-[[1-(2,3-dihydro-1-benzofuran-6-yloxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]-3-ethynylphenyl]methyl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

2-[6-[[(1R)-4-[2-cyano-4-(morpholin-4-ylmethyl)phenoxy]-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 90199836
methyl 2-[6-[[(1R)-7-fluoro-4-[4-(morpholin-4-ylmethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
CID 90199101
2-[(3S)-6-[[(1R)-4-[2-cyano-4-(4-hydroxy-4-methylpentyl)phenoxy]-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 86722197
methyl (3R)-6-[[(1R)-4-(2,3-dihydro-1-benzofuran-5-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]spiro[2H-1-benzofuran-1-ium-3,2'-cyclopropane]-1'-carboxylate
CID 144638192
2-fluoro-5-(1,4-oxazepan-4-ylmethyl)benzonitrile
CID 103758445
methyl 2-[6-[[4-(2-cyano-4-ethenylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
CID 86722182
4-[(4-fluoro-3-methoxyphenyl)methyl]morpholine
CID 71190630
2-fluoro-4-(morpholin-4-ylmethyl)benzonitrile
CID 66703677
2-[6-[[(1R)-4-(1,3-benzoxazol-2-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 90175422
2-[[(1R)-1-[4-[(2R)-2-ethyl-4-oxooxetan-2-yl]-3-hydroxyphenoxy]-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]-5-(2-methylpyrazol-3-yl)benzonitrile
CID 122666391
5-fluoro-2-[[7-fluoro-1-[[3-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-6-yl]oxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyrimidine
CID 123339920
2-[6-[[7-fluoro-4-[4-(4-hydroxy-4-methylpentyl)-2-methylphenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 123694562

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[1-(2,3-dihydro-1-benzofuran-6-yloxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]-3-ethynylphenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[[1-(2,3-dihydro-1-benzofuran-6-yloxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]-3-ethynylphenyl]methyl]morpholine (CID 123758268) is 4-[[4-[[1-(2,3-dihydro-1-benzofuran-6-yloxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]-3-ethynylphenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[[1-(2,3-dihydro-1-benzofuran-6-yloxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]-3-ethynylphenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[[1-(2,3-dihydro-1-benzofuran-6-yloxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]-3-ethynylphenyl]methyl]morpholine is C#Cc1cc(CN2CCOCC2)ccc1Oc1ccc(F)c2c1CCC2Oc1ccc2c(c1)OCC2.
What is the InChIKey of 4-[[4-[[1-(2,3-dihydro-1-benzofuran-6-yloxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]-3-ethynylphenyl]methyl]morpholine?
The InChIKey is NIIWBWQRSQQLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FNO4/c1-2-21-17-20(19-32-12-15-33-16-13-32)3-8-26(21)36-27-10-7-25(31)30-24(27)6-9-28(30)35-23-5-4-22-11-14-34-29(22)18-23/h1,3-5,7-8,10,17-18,28H,6,9,11-16,19H2.
What are the key properties of 4-[[4-[[1-(2,3-dihydro-1-benzofuran-6-yloxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]-3-ethynylphenyl]methyl]morpholine?
4-[[4-[[1-(2,3-dihydro-1-benzofuran-6-yloxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]-3-ethynylphenyl]methyl]morpholine has a molecular weight of 485.56 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[1-(2,3-dihydro-1-benzofuran-6-yloxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]-3-ethynylphenyl]methyl]morpholine is sourced from PubChem (CID 123758268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).