2-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]oxy]acetic acid

C20H21ClO5 — CID 129243674

IUPAC2-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]oxy]acetic acid
SMILESCCc1cccc(Cl)c1COc1ccc2c(c1)OCC(OCC(=O)O)C2
InChIInChI=1S/C20H21ClO5/c1-2-13-4-3-5-18(21)17(13)11-24-15-7-6-14-8-16(25-12-20(22)23)10-26-19(14)9-15/h3-7,9,16H,2,8,10-12H2,1H3,(H,22,23)
InChIKeyFIZZPKGSJKSSPW-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.89
Rot. Bonds7

About 2-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]oxy]acetic acid

2-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]oxy]acetic acid (PubChem CID 129243674) has the molecular formula C20H21ClO5 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]oxy]acetic acid
PubChem CID129243674
Molecular FormulaC20H21ClO5
Molecular Weight376.84 g/mol
Exact Mass376.11
IUPAC Name2-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]oxy]acetic acid
SMILESCCc1cccc(Cl)c1COc1ccc2c(c1)OCC(OCC(=O)O)C2
InChIInChI=1S/C20H21ClO5/c1-2-13-4-3-5-18(21)17(13)11-24-15-7-6-14-8-16(25-12-20(22)23)10-26-19(14)9-15/h3-7,9,16H,2,8,10-12H2,1H3,(H,22,23)
InChIKeyFIZZPKGSJKSSPW-UHFFFAOYSA-N
XLogP3.89
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]oxy]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[1-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]amino]cyclopentyl]acetic acid
CID 129243758
2-[[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 129243720
7-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine
CID 129243893
N-[[3-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazol-5-yl]methyl]-7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine
CID 140793155
1-[[[6-[(2-chloro-6-ethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]cyclopropane-1-carboxylic acid
CID 129243660
ethyl 3-[8-[(2-chloro-6-ethylphenyl)methoxy]-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-4-yl]propanoate
CID 129243923
3-[[6-[(2,3-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanoic acid
CID 129243730
2-[[6-[(3,5-dimethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 129243799
3-amino-1-[3-[(2-chloro-6-ethylphenyl)methoxy]phenyl]propan-1-ol
CID 130373215
ethyl (3S)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86334083
ethyl 2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate;ethyl 2-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate
CID 129285095
1-[(3S)-6-[(2,4-dichlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]butan-2-one
CID 158302831

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]oxy]acetic acid?
The IUPAC name of 2-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]oxy]acetic acid (CID 129243674) is 2-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]oxy]acetic acid?
The canonical SMILES for 2-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]oxy]acetic acid is CCc1cccc(Cl)c1COc1ccc2c(c1)OCC(OCC(=O)O)C2.
What is the InChIKey of 2-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]oxy]acetic acid?
The InChIKey is FIZZPKGSJKSSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClO5/c1-2-13-4-3-5-18(21)17(13)11-24-15-7-6-14-8-16(25-12-20(22)23)10-26-19(14)9-15/h3-7,9,16H,2,8,10-12H2,1H3,(H,22,23).
What are the key properties of 2-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]oxy]acetic acid?
2-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]oxy]acetic acid has a molecular weight of 376.84 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]oxy]acetic acid is sourced from PubChem (CID 129243674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).