1-(4-fluorophenyl)ethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate

C22H21FO4 — CID 18209760

IUPAC1-(4-fluorophenyl)ethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
SMILESCC(OC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1ccc(F)cc1
InChIInChI=1S/C22H21FO4/c1-14(15-6-8-16(23)9-7-15)26-22(24)13-25-17-10-11-21-19(12-17)18-4-2-3-5-20(18)27-21/h6-12,14H,2-5,13H2,1H3
InChIKeyBTGKQZWPCZOCNA-UHFFFAOYSA-N
MW368.40 g/mol
LogP5.13
Rot. Bonds5

About 1-(4-fluorophenyl)ethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate

1-(4-fluorophenyl)ethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate (PubChem CID 18209760) has the molecular formula C22H21FO4 and a molecular weight of 368.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)ethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate.

Molecular Properties

Compound Name1-(4-fluorophenyl)ethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
PubChem CID18209760
Molecular FormulaC22H21FO4
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC Name1-(4-fluorophenyl)ethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
SMILESCC(OC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1ccc(F)cc1
InChIInChI=1S/C22H21FO4/c1-14(15-6-8-16(23)9-7-15)26-22(24)13-25-17-10-11-21-19(12-17)18-4-2-3-5-20(18)27-21/h6-12,14H,2-5,13H2,1H3
InChIKeyBTGKQZWPCZOCNA-UHFFFAOYSA-N
XLogP5.13
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.40
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-2-oxo-1-phenylethyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 43038915
N-methyl-N-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 78843878
N,N-dimethyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46652492
1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 55392475
(3-fluoro-4-methoxyphenyl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 18288272
[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 55524229
methyl 2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]oxyphenyl]acetate
CID 8868175
2-(3,4-difluorophenyl)-N-methyl-2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]acetamide
CID 55483919
[4-(2-methoxyethyl)phenyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 8867276
(4-cyanophenyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 8765893
N-[2-(methylamino)propyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide;hydrochloride
CID 120827134
N-ethoxy-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46536426

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)ethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
The IUPAC name of 1-(4-fluorophenyl)ethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate (CID 18209760) is 1-(4-fluorophenyl)ethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate.
What is the SMILES notation for 1-(4-fluorophenyl)ethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
The canonical SMILES for 1-(4-fluorophenyl)ethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate is CC(OC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)ethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
The InChIKey is BTGKQZWPCZOCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FO4/c1-14(15-6-8-16(23)9-7-15)26-22(24)13-25-17-10-11-21-19(12-17)18-4-2-3-5-20(18)27-21/h6-12,14H,2-5,13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)ethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
1-(4-fluorophenyl)ethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate has a molecular weight of 368.40 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)ethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate is sourced from PubChem (CID 18209760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).