cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methanol

C17H17FO2 — CID 6482547

IUPACcyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methanol
SMILESOC(c1ccc(OCc2ccc(F)cc2)cc1)C1CC1
InChIInChI=1S/C17H17FO2/c18-15-7-1-12(2-8-15)11-20-16-9-5-14(6-10-16)17(19)13-3-4-13/h1-2,5-10,13,17,19H,3-4,11H2
InChIKeyZKMOPOIQXQWJOQ-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.85
Rot. Bonds5

About cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methanol

cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methanol (PubChem CID 6482547) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Namecyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methanol
PubChem CID6482547
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Namecyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methanol
SMILESOC(c1ccc(OCc2ccc(F)cc2)cc1)C1CC1
InChIInChI=1S/C17H17FO2/c18-15-7-1-12(2-8-15)11-20-16-9-5-14(6-10-16)17(19)13-3-4-13/h1-2,5-10,13,17,19H,3-4,11H2
InChIKeyZKMOPOIQXQWJOQ-UHFFFAOYSA-N
XLogP3.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methanol?
The IUPAC name of cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methanol (CID 6482547) is cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methanol?
The canonical SMILES for cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methanol is OC(c1ccc(OCc2ccc(F)cc2)cc1)C1CC1.
What is the InChIKey of cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methanol?
The InChIKey is ZKMOPOIQXQWJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c18-15-7-1-12(2-8-15)11-20-16-9-5-14(6-10-16)17(19)13-3-4-13/h1-2,5-10,13,17,19H,3-4,11H2.
What are the key properties of cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methanol?
cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methanol has a molecular weight of 272.32 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 6482547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).