[2-[2-[(E)-but-2-en-2-yl]-4-methoxynaphthalen-1-yl]phenyl]-diphenylphosphane

C33H29OP — CID 175500352

IUPAC[2-[2-[(E)-but-2-en-2-yl]-4-methoxynaphthalen-1-yl]phenyl]-diphenylphosphane
SMILESC/C=C(\C)c1cc(OC)c2ccccc2c1-c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H29OP/c1-4-24(2)30-23-31(34-3)27-19-11-12-20-28(27)33(30)29-21-13-14-22-32(29)35(25-15-7-5-8-16-25)26-17-9-6-10-18-26/h4-23H,1-3H3/b24-4+
InChIKeyLPXBMZGXPOVTSG-FZZGJVLGSA-N
MW472.57 g/mol
LogP7.70
Rot. Bonds6

About [2-[2-[(E)-but-2-en-2-yl]-4-methoxynaphthalen-1-yl]phenyl]-diphenylphosphane

[2-[2-[(E)-but-2-en-2-yl]-4-methoxynaphthalen-1-yl]phenyl]-diphenylphosphane (PubChem CID 175500352) has the molecular formula C33H29OP and a molecular weight of 472.57 g/mol. Its IUPAC name is [2-[2-[(E)-but-2-en-2-yl]-4-methoxynaphthalen-1-yl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[2-[(E)-but-2-en-2-yl]-4-methoxynaphthalen-1-yl]phenyl]-diphenylphosphane
PubChem CID175500352
Molecular FormulaC33H29OP
Molecular Weight472.57 g/mol
Exact Mass472.20
IUPAC Name[2-[2-[(E)-but-2-en-2-yl]-4-methoxynaphthalen-1-yl]phenyl]-diphenylphosphane
SMILESC/C=C(\C)c1cc(OC)c2ccccc2c1-c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H29OP/c1-4-24(2)30-23-31(34-3)27-19-11-12-20-28(27)33(30)29-21-13-14-22-32(29)35(25-15-7-5-8-16-25)26-17-9-6-10-18-26/h4-23H,1-3H3/b24-4+
InChIKeyLPXBMZGXPOVTSG-FZZGJVLGSA-N
XLogP7.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.57
LogP ≤ 57.70
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-[2-[(E)-but-2-en-2-yl]-4-methoxynaphthalen-1-yl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[2-[(E)-but-2-en-2-yl]-4-methoxynaphthalen-1-yl]phenyl]-diphenylphosphane (CID 175500352) is [2-[2-[(E)-but-2-en-2-yl]-4-methoxynaphthalen-1-yl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[2-[(E)-but-2-en-2-yl]-4-methoxynaphthalen-1-yl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[2-[(E)-but-2-en-2-yl]-4-methoxynaphthalen-1-yl]phenyl]-diphenylphosphane is C/C=C(\C)c1cc(OC)c2ccccc2c1-c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[2-[(E)-but-2-en-2-yl]-4-methoxynaphthalen-1-yl]phenyl]-diphenylphosphane?
The InChIKey is LPXBMZGXPOVTSG-FZZGJVLGSA-N. The full InChI is InChI=1S/C33H29OP/c1-4-24(2)30-23-31(34-3)27-19-11-12-20-28(27)33(30)29-21-13-14-22-32(29)35(25-15-7-5-8-16-25)26-17-9-6-10-18-26/h4-23H,1-3H3/b24-4+.
What are the key properties of [2-[2-[(E)-but-2-en-2-yl]-4-methoxynaphthalen-1-yl]phenyl]-diphenylphosphane?
[2-[2-[(E)-but-2-en-2-yl]-4-methoxynaphthalen-1-yl]phenyl]-diphenylphosphane has a molecular weight of 472.57 g/mol, XLogP of 7.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(E)-but-2-en-2-yl]-4-methoxynaphthalen-1-yl]phenyl]-diphenylphosphane is sourced from PubChem (CID 175500352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).