(2E)-2-[[2-(2-fluorophenoxy)-6-propan-2-ylphenyl]methylidene]butan-1-ol

C20H23FO2 — CID 142454108

IUPAC(2E)-2-[[2-(2-fluorophenoxy)-6-propan-2-ylphenyl]methylidene]butan-1-ol
SMILESCC/C(=C\c1c(Oc2ccccc2F)cccc1C(C)C)CO
InChIInChI=1S/C20H23FO2/c1-4-15(13-22)12-17-16(14(2)3)8-7-11-19(17)23-20-10-6-5-9-18(20)21/h5-12,14,22H,4,13H2,1-3H3/b15-12+
InChIKeyZRUBCJBONHXURF-NTCAYCPXSA-N
MW314.40 g/mol
LogP5.53
Rot. Bonds6

About (2E)-2-[[2-(2-fluorophenoxy)-6-propan-2-ylphenyl]methylidene]butan-1-ol

(2E)-2-[[2-(2-fluorophenoxy)-6-propan-2-ylphenyl]methylidene]butan-1-ol (PubChem CID 142454108) has the molecular formula C20H23FO2 and a molecular weight of 314.40 g/mol. Its IUPAC name is (2E)-2-[[2-(2-fluorophenoxy)-6-propan-2-ylphenyl]methylidene]butan-1-ol.

Molecular Properties

Compound Name(2E)-2-[[2-(2-fluorophenoxy)-6-propan-2-ylphenyl]methylidene]butan-1-ol
PubChem CID142454108
Molecular FormulaC20H23FO2
Molecular Weight314.40 g/mol
Exact Mass314.17
IUPAC Name(2E)-2-[[2-(2-fluorophenoxy)-6-propan-2-ylphenyl]methylidene]butan-1-ol
SMILESCC/C(=C\c1c(Oc2ccccc2F)cccc1C(C)C)CO
InChIInChI=1S/C20H23FO2/c1-4-15(13-22)12-17-16(14(2)3)8-7-11-19(17)23-20-10-6-5-9-18(20)21/h5-12,14,22H,4,13H2,1-3H3/b15-12+
InChIKeyZRUBCJBONHXURF-NTCAYCPXSA-N
XLogP5.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.40
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[2-(2-fluorophenoxy)-6-propan-2-ylphenyl]methylidene]butan-1-ol?
The IUPAC name of (2E)-2-[[2-(2-fluorophenoxy)-6-propan-2-ylphenyl]methylidene]butan-1-ol (CID 142454108) is (2E)-2-[[2-(2-fluorophenoxy)-6-propan-2-ylphenyl]methylidene]butan-1-ol.
What is the SMILES notation for (2E)-2-[[2-(2-fluorophenoxy)-6-propan-2-ylphenyl]methylidene]butan-1-ol?
The canonical SMILES for (2E)-2-[[2-(2-fluorophenoxy)-6-propan-2-ylphenyl]methylidene]butan-1-ol is CC/C(=C\c1c(Oc2ccccc2F)cccc1C(C)C)CO.
What is the InChIKey of (2E)-2-[[2-(2-fluorophenoxy)-6-propan-2-ylphenyl]methylidene]butan-1-ol?
The InChIKey is ZRUBCJBONHXURF-NTCAYCPXSA-N. The full InChI is InChI=1S/C20H23FO2/c1-4-15(13-22)12-17-16(14(2)3)8-7-11-19(17)23-20-10-6-5-9-18(20)21/h5-12,14,22H,4,13H2,1-3H3/b15-12+.
What are the key properties of (2E)-2-[[2-(2-fluorophenoxy)-6-propan-2-ylphenyl]methylidene]butan-1-ol?
(2E)-2-[[2-(2-fluorophenoxy)-6-propan-2-ylphenyl]methylidene]butan-1-ol has a molecular weight of 314.40 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[2-(2-fluorophenoxy)-6-propan-2-ylphenyl]methylidene]butan-1-ol is sourced from PubChem (CID 142454108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).