methyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoate

C19H18F2O3 — CID 23136406

IUPACmethyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoate
SMILESCOC(=O)CCc1cc(F)c(OC2CCc3ccccc32)c(F)c1
InChIInChI=1S/C19H18F2O3/c1-23-18(22)9-6-12-10-15(20)19(16(21)11-12)24-17-8-7-13-4-2-3-5-14(13)17/h2-5,10-11,17H,6-9H2,1H3
InChIKeyVFEGHKVXAMZGCE-UHFFFAOYSA-N
MW332.35 g/mol
LogP4.14
Rot. Bonds5

About methyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoate

methyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoate (PubChem CID 23136406) has the molecular formula C19H18F2O3 and a molecular weight of 332.35 g/mol. Its IUPAC name is methyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoate
PubChem CID23136406
Molecular FormulaC19H18F2O3
Molecular Weight332.35 g/mol
Exact Mass332.12
IUPAC Namemethyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoate
SMILESCOC(=O)CCc1cc(F)c(OC2CCc3ccccc32)c(F)c1
InChIInChI=1S/C19H18F2O3/c1-23-18(22)9-6-12-10-15(20)19(16(21)11-12)24-17-8-7-13-4-2-3-5-14(13)17/h2-5,10-11,17H,6-9H2,1H3
InChIKeyVFEGHKVXAMZGCE-UHFFFAOYSA-N
XLogP4.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

DS-1558
CID 45107312
Tug-891
CID 57522038
2-[(1S)-5-{3-[4-(trifluoromethyl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110419
2-[(1S)-5-[3-(3,4-dimethylphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110423
2-[(1S)-5-[3-(4-ethylphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110511
2-[(1S)-5-[3-(3-methylphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110514
2-[(3Z)-6-fluoro-2-methyl-3-[(3-phenylmethoxyphenyl)methylidene]inden-1-yl]acetic acid
CID 57339731
4-Benzyloxyphenylacetic acid ethyl ester
CID 2737428
Methyl 2-(4-benzyloxyphenyl)acetate
CID 2756645
3-(4-Butoxyphenyl)-3-(3-fluorophenyl)propanoic acid
CID 16736954
3-{4-[(2'',6''-Dimethylbiphenyl-3-yl)methoxy]-2,6-difluorophenyl}propanoic Acid
CID 23082739
(3S)-3-ethoxy-3-[4-[[(1R)-4-ethyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]propanoic acid
CID 45107317

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoate?
The IUPAC name of methyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoate (CID 23136406) is methyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoate.
What is the SMILES notation for methyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoate?
The canonical SMILES for methyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoate is COC(=O)CCc1cc(F)c(OC2CCc3ccccc32)c(F)c1.
What is the InChIKey of methyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoate?
The InChIKey is VFEGHKVXAMZGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2O3/c1-23-18(22)9-6-12-10-15(20)19(16(21)11-12)24-17-8-7-13-4-2-3-5-14(13)17/h2-5,10-11,17H,6-9H2,1H3.
What are the key properties of methyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoate?
methyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoate has a molecular weight of 332.35 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoate is sourced from PubChem (CID 23136406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).