2-[3-(cyclopropylmethoxy)-4-fluoro-2-[(Z)-prop-1-enyl]phenyl]prop-2-enylphosphane

C16H20FOP — CID 142400018

IUPAC2-[3-(cyclopropylmethoxy)-4-fluoro-2-[(Z)-prop-1-enyl]phenyl]prop-2-enylphosphane
SMILESC=C(CP)c1ccc(F)c(OCC2CC2)c1/C=C\C
InChIInChI=1S/C16H20FOP/c1-3-4-14-13(11(2)10-19)7-8-15(17)16(14)18-9-12-5-6-12/h3-4,7-8,12H,2,5-6,9-10,19H2,1H3/b4-3-
InChIKeyPXDQTIUUQLRRGM-ARJAWSKDSA-N
MW278.31 g/mol
LogP4.54
Rot. Bonds6

About 2-[3-(cyclopropylmethoxy)-4-fluoro-2-[(Z)-prop-1-enyl]phenyl]prop-2-enylphosphane

2-[3-(cyclopropylmethoxy)-4-fluoro-2-[(Z)-prop-1-enyl]phenyl]prop-2-enylphosphane (PubChem CID 142400018) has the molecular formula C16H20FOP and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethoxy)-4-fluoro-2-[(Z)-prop-1-enyl]phenyl]prop-2-enylphosphane.

Molecular Properties

Compound Name2-[3-(cyclopropylmethoxy)-4-fluoro-2-[(Z)-prop-1-enyl]phenyl]prop-2-enylphosphane
PubChem CID142400018
Molecular FormulaC16H20FOP
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name2-[3-(cyclopropylmethoxy)-4-fluoro-2-[(Z)-prop-1-enyl]phenyl]prop-2-enylphosphane
SMILESC=C(CP)c1ccc(F)c(OCC2CC2)c1/C=C\C
InChIInChI=1S/C16H20FOP/c1-3-4-14-13(11(2)10-19)7-8-15(17)16(14)18-9-12-5-6-12/h3-4,7-8,12H,2,5-6,9-10,19H2,1H3/b4-3-
InChIKeyPXDQTIUUQLRRGM-ARJAWSKDSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethoxy)-4-fluoro-2-[(Z)-prop-1-enyl]phenyl]prop-2-enylphosphane?
The IUPAC name of 2-[3-(cyclopropylmethoxy)-4-fluoro-2-[(Z)-prop-1-enyl]phenyl]prop-2-enylphosphane (CID 142400018) is 2-[3-(cyclopropylmethoxy)-4-fluoro-2-[(Z)-prop-1-enyl]phenyl]prop-2-enylphosphane.
What is the SMILES notation for 2-[3-(cyclopropylmethoxy)-4-fluoro-2-[(Z)-prop-1-enyl]phenyl]prop-2-enylphosphane?
The canonical SMILES for 2-[3-(cyclopropylmethoxy)-4-fluoro-2-[(Z)-prop-1-enyl]phenyl]prop-2-enylphosphane is C=C(CP)c1ccc(F)c(OCC2CC2)c1/C=C\C.
What is the InChIKey of 2-[3-(cyclopropylmethoxy)-4-fluoro-2-[(Z)-prop-1-enyl]phenyl]prop-2-enylphosphane?
The InChIKey is PXDQTIUUQLRRGM-ARJAWSKDSA-N. The full InChI is InChI=1S/C16H20FOP/c1-3-4-14-13(11(2)10-19)7-8-15(17)16(14)18-9-12-5-6-12/h3-4,7-8,12H,2,5-6,9-10,19H2,1H3/b4-3-.
What are the key properties of 2-[3-(cyclopropylmethoxy)-4-fluoro-2-[(Z)-prop-1-enyl]phenyl]prop-2-enylphosphane?
2-[3-(cyclopropylmethoxy)-4-fluoro-2-[(Z)-prop-1-enyl]phenyl]prop-2-enylphosphane has a molecular weight of 278.31 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethoxy)-4-fluoro-2-[(Z)-prop-1-enyl]phenyl]prop-2-enylphosphane is sourced from PubChem (CID 142400018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).