4-(2-fluoroethoxy)-2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-3-methylbenzoic acid

C18H16F2O4 — CID 175426387

IUPAC4-(2-fluoroethoxy)-2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-3-methylbenzoic acid
SMILESCc1c(OCCF)cc(O)c(C(=O)O)c1C=Cc1ccc(F)cc1
InChIInChI=1S/C18H16F2O4/c1-11-14(7-4-12-2-5-13(20)6-3-12)17(18(22)23)15(21)10-16(11)24-9-8-19/h2-7,10,21H,8-9H2,1H3,(H,22,23)
InChIKeyYGXYATVEXXZATR-UHFFFAOYSA-N
MW334.32 g/mol
LogP4.06
Rot. Bonds6

About 4-(2-fluoroethoxy)-2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-3-methylbenzoic acid

4-(2-fluoroethoxy)-2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-3-methylbenzoic acid (PubChem CID 175426387) has the molecular formula C18H16F2O4 and a molecular weight of 334.32 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)-2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-3-methylbenzoic acid.

Molecular Properties

Compound Name4-(2-fluoroethoxy)-2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-3-methylbenzoic acid
PubChem CID175426387
Molecular FormulaC18H16F2O4
Molecular Weight334.32 g/mol
Exact Mass334.10
IUPAC Name4-(2-fluoroethoxy)-2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-3-methylbenzoic acid
SMILESCc1c(OCCF)cc(O)c(C(=O)O)c1C=Cc1ccc(F)cc1
InChIInChI=1S/C18H16F2O4/c1-11-14(7-4-12-2-5-13(20)6-3-12)17(18(22)23)15(21)10-16(11)24-9-8-19/h2-7,10,21H,8-9H2,1H3,(H,22,23)
InChIKeyYGXYATVEXXZATR-UHFFFAOYSA-N
XLogP4.06
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluoroethoxy)-6-[2-(4-fluorophenyl)ethenyl]-2-hydroxy-3-(3-methylbut-2-enyl)benzoic acid
CID 175207108
4-(2,2-difluoroethoxy)-2-[2-(4-fluorophenyl)ethenyl]-6-hydroxybenzoic acid
CID 175696041
4-ethoxy-3-[(E)-2-(4-fluorophenyl)ethenyl]benzoic acid
CID 69075311
2-(2-fluoroethoxy)-5-methylbenzoic acid
CID 51357094
4-(2-fluoroethoxy)-2-hydroxy-3-(3-methylbut-2-enyl)-6-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzoic acid
CID 175202274
4-(2-fluoroethoxy)-3-methylbenzoic acid
CID 107673859
methyl 2-[(E)-2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate
CID 163207609
ethyl (E)-3-[3,4-bis(2-fluoroethoxy)phenyl]prop-2-enoate
CID 134093301
2-(2-(18F)fluoroethoxy)-1,4-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 11509622
4-[2-(4-hydroxy-3-pentoxyphenyl)ethenyl]benzoic acid
CID 139791563
6-[(E)-2-(4-fluorophenyl)ethenyl]-2-hydroxy-3-(3-methylbut-2-enyl)-4-propan-2-yloxybenzoic acid
CID 163207634
ethyl 3-(2,5-difluorophenoxy)propanoate
CID 63268646

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)-2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-3-methylbenzoic acid?
The IUPAC name of 4-(2-fluoroethoxy)-2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-3-methylbenzoic acid (CID 175426387) is 4-(2-fluoroethoxy)-2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-3-methylbenzoic acid.
What is the SMILES notation for 4-(2-fluoroethoxy)-2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-3-methylbenzoic acid?
The canonical SMILES for 4-(2-fluoroethoxy)-2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-3-methylbenzoic acid is Cc1c(OCCF)cc(O)c(C(=O)O)c1C=Cc1ccc(F)cc1.
What is the InChIKey of 4-(2-fluoroethoxy)-2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-3-methylbenzoic acid?
The InChIKey is YGXYATVEXXZATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2O4/c1-11-14(7-4-12-2-5-13(20)6-3-12)17(18(22)23)15(21)10-16(11)24-9-8-19/h2-7,10,21H,8-9H2,1H3,(H,22,23).
What are the key properties of 4-(2-fluoroethoxy)-2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-3-methylbenzoic acid?
4-(2-fluoroethoxy)-2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-3-methylbenzoic acid has a molecular weight of 334.32 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)-2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-3-methylbenzoic acid is sourced from PubChem (CID 175426387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).