[1-[[3-(3-fluoro-4-methoxy-2-methylphenyl)phenyl]methyl]cyclopropyl]methanol

C19H21FO2 — CID 166377199

IUPAC[1-[[3-(3-fluoro-4-methoxy-2-methylphenyl)phenyl]methyl]cyclopropyl]methanol
SMILESCOc1ccc(-c2cccc(CC3(CO)CC3)c2)c(C)c1F
InChIInChI=1S/C19H21FO2/c1-13-16(6-7-17(22-2)18(13)20)15-5-3-4-14(10-15)11-19(12-21)8-9-19/h3-7,10,21H,8-9,11-12H2,1-2H3
InChIKeyBQUMZJMITKCGDB-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.12
Rot. Bonds5

About [1-[[3-(3-fluoro-4-methoxy-2-methylphenyl)phenyl]methyl]cyclopropyl]methanol

[1-[[3-(3-fluoro-4-methoxy-2-methylphenyl)phenyl]methyl]cyclopropyl]methanol (PubChem CID 166377199) has the molecular formula C19H21FO2 and a molecular weight of 300.37 g/mol. Its IUPAC name is [1-[[3-(3-fluoro-4-methoxy-2-methylphenyl)phenyl]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[3-(3-fluoro-4-methoxy-2-methylphenyl)phenyl]methyl]cyclopropyl]methanol
PubChem CID166377199
Molecular FormulaC19H21FO2
Molecular Weight300.37 g/mol
Exact Mass300.15
IUPAC Name[1-[[3-(3-fluoro-4-methoxy-2-methylphenyl)phenyl]methyl]cyclopropyl]methanol
SMILESCOc1ccc(-c2cccc(CC3(CO)CC3)c2)c(C)c1F
InChIInChI=1S/C19H21FO2/c1-13-16(6-7-17(22-2)18(13)20)15-5-3-4-14(10-15)11-19(12-21)8-9-19/h3-7,10,21H,8-9,11-12H2,1-2H3
InChIKeyBQUMZJMITKCGDB-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[3-(3-fluoro-4-methoxy-2-methylphenyl)phenyl]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[3-(3-fluoro-4-methoxy-2-methylphenyl)phenyl]methyl]cyclopropyl]methanol (CID 166377199) is [1-[[3-(3-fluoro-4-methoxy-2-methylphenyl)phenyl]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[3-(3-fluoro-4-methoxy-2-methylphenyl)phenyl]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[3-(3-fluoro-4-methoxy-2-methylphenyl)phenyl]methyl]cyclopropyl]methanol is COc1ccc(-c2cccc(CC3(CO)CC3)c2)c(C)c1F.
What is the InChIKey of [1-[[3-(3-fluoro-4-methoxy-2-methylphenyl)phenyl]methyl]cyclopropyl]methanol?
The InChIKey is BQUMZJMITKCGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO2/c1-13-16(6-7-17(22-2)18(13)20)15-5-3-4-14(10-15)11-19(12-21)8-9-19/h3-7,10,21H,8-9,11-12H2,1-2H3.
What are the key properties of [1-[[3-(3-fluoro-4-methoxy-2-methylphenyl)phenyl]methyl]cyclopropyl]methanol?
[1-[[3-(3-fluoro-4-methoxy-2-methylphenyl)phenyl]methyl]cyclopropyl]methanol has a molecular weight of 300.37 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(3-fluoro-4-methoxy-2-methylphenyl)phenyl]methyl]cyclopropyl]methanol is sourced from PubChem (CID 166377199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).