3-[4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)oxy]-3-fluorophenyl]propanoic acid

C20H21FO3 — CID 23136455

IUPAC3-[4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)oxy]-3-fluorophenyl]propanoic acid
SMILESCC1(C)Cc2ccccc2C1Oc1ccc(CCC(=O)O)cc1F
InChIInChI=1S/C20H21FO3/c1-20(2)12-14-5-3-4-6-15(14)19(20)24-17-9-7-13(11-16(17)21)8-10-18(22)23/h3-7,9,11,19H,8,10,12H2,1-2H3,(H,22,23)
InChIKeyKTIVCXYUBYMZLF-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.55
Rot. Bonds5

About 3-[4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)oxy]-3-fluorophenyl]propanoic acid

3-[4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)oxy]-3-fluorophenyl]propanoic acid (PubChem CID 23136455) has the molecular formula C20H21FO3 and a molecular weight of 328.38 g/mol. Its IUPAC name is 3-[4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)oxy]-3-fluorophenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)oxy]-3-fluorophenyl]propanoic acid
PubChem CID23136455
Molecular FormulaC20H21FO3
Molecular Weight328.38 g/mol
Exact Mass328.15
IUPAC Name3-[4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)oxy]-3-fluorophenyl]propanoic acid
SMILESCC1(C)Cc2ccccc2C1Oc1ccc(CCC(=O)O)cc1F
InChIInChI=1S/C20H21FO3/c1-20(2)12-14-5-3-4-6-15(14)19(20)24-17-9-7-13(11-16(17)21)8-10-18(22)23/h3-7,9,11,19H,8,10,12H2,1-2H3,(H,22,23)
InChIKeyKTIVCXYUBYMZLF-UHFFFAOYSA-N
XLogP4.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[(2,2,6-trimethyl-1,3-dihydroinden-1-yl)oxy]phenyl]propanoic acid
CID 23136529
ethyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoate
CID 23136317
3-(3-fluoro-4-methoxyphenyl)propanoic acid;propanedioic acid
CID 67624266
3-[3-[(dimethylamino)methyl]-4-fluorophenyl]propanoic acid
CID 71215134
3-(3,4-dibenzoyloxyphenyl)propanoic acid
CID 19097459
3-[4-[(3-ethoxy-4-methylphenyl)methoxy]-3-fluorophenyl]propanoic acid
CID 23136391
3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide
CID 86956297
4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 95447270
3-[4-(carboxymethoxy)-3-methoxyphenyl]propanoic acid
CID 121016138
3-[3-ethoxy-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]propanoic acid
CID 20985123
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid
CID 82050366

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)oxy]-3-fluorophenyl]propanoic acid?
The IUPAC name of 3-[4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)oxy]-3-fluorophenyl]propanoic acid (CID 23136455) is 3-[4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)oxy]-3-fluorophenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)oxy]-3-fluorophenyl]propanoic acid?
The canonical SMILES for 3-[4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)oxy]-3-fluorophenyl]propanoic acid is CC1(C)Cc2ccccc2C1Oc1ccc(CCC(=O)O)cc1F.
What is the InChIKey of 3-[4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)oxy]-3-fluorophenyl]propanoic acid?
The InChIKey is KTIVCXYUBYMZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FO3/c1-20(2)12-14-5-3-4-6-15(14)19(20)24-17-9-7-13(11-16(17)21)8-10-18(22)23/h3-7,9,11,19H,8,10,12H2,1-2H3,(H,22,23).
What are the key properties of 3-[4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)oxy]-3-fluorophenyl]propanoic acid?
3-[4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)oxy]-3-fluorophenyl]propanoic acid has a molecular weight of 328.38 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)oxy]-3-fluorophenyl]propanoic acid is sourced from PubChem (CID 23136455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).