(2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone

C18H17FO4 — CID 22491220

IUPAC(2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone
SMILESCOc1ccc(OC)c(C(=O)C2CC2c2ccc(F)c(O)c2)c1
InChIInChI=1S/C18H17FO4/c1-22-11-4-6-17(23-2)14(8-11)18(21)13-9-12(13)10-3-5-15(19)16(20)7-10/h3-8,12-13,20H,9H2,1-2H3
InChIKeyWKWQISYOROOXQZ-UHFFFAOYSA-N
MW316.33 g/mol
LogP3.53
Rot. Bonds5

About (2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone

(2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone (PubChem CID 22491220) has the molecular formula C18H17FO4 and a molecular weight of 316.33 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone
PubChem CID22491220
Molecular FormulaC18H17FO4
Molecular Weight316.33 g/mol
Exact Mass316.11
IUPAC Name(2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone
SMILESCOc1ccc(OC)c(C(=O)C2CC2c2ccc(F)c(O)c2)c1
InChIInChI=1S/C18H17FO4/c1-22-11-4-6-17(23-2)14(8-11)18(21)13-9-12(13)10-3-5-15(19)16(20)7-10/h3-8,12-13,20H,9H2,1-2H3
InChIKeyWKWQISYOROOXQZ-UHFFFAOYSA-N
XLogP3.53
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone (CID 22491220) is (2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone is COc1ccc(OC)c(C(=O)C2CC2c2ccc(F)c(O)c2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone?
The InChIKey is WKWQISYOROOXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO4/c1-22-11-4-6-17(23-2)14(8-11)18(21)13-9-12(13)10-3-5-15(19)16(20)7-10/h3-8,12-13,20H,9H2,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone?
(2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone has a molecular weight of 316.33 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone is sourced from PubChem (CID 22491220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).