[2-(2-but-2-en-2-ylnaphthalen-1-yl)-4-methoxyphenyl]-diphenylphosphane

C33H29OP — CID 175500377

IUPAC[2-(2-but-2-en-2-ylnaphthalen-1-yl)-4-methoxyphenyl]-diphenylphosphane
SMILESCC=C(C)c1ccc2ccccc2c1-c1cc(OC)ccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H29OP/c1-4-24(2)29-21-19-25-13-11-12-18-30(25)33(29)31-23-26(34-3)20-22-32(31)35(27-14-7-5-8-15-27)28-16-9-6-10-17-28/h4-23H,1-3H3
InChIKeyCPSRJPCUAOXNCW-UHFFFAOYSA-N
MW472.57 g/mol
LogP7.70
Rot. Bonds6

About [2-(2-but-2-en-2-ylnaphthalen-1-yl)-4-methoxyphenyl]-diphenylphosphane

[2-(2-but-2-en-2-ylnaphthalen-1-yl)-4-methoxyphenyl]-diphenylphosphane (PubChem CID 175500377) has the molecular formula C33H29OP and a molecular weight of 472.57 g/mol. Its IUPAC name is [2-(2-but-2-en-2-ylnaphthalen-1-yl)-4-methoxyphenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(2-but-2-en-2-ylnaphthalen-1-yl)-4-methoxyphenyl]-diphenylphosphane
PubChem CID175500377
Molecular FormulaC33H29OP
Molecular Weight472.57 g/mol
Exact Mass472.20
IUPAC Name[2-(2-but-2-en-2-ylnaphthalen-1-yl)-4-methoxyphenyl]-diphenylphosphane
SMILESCC=C(C)c1ccc2ccccc2c1-c1cc(OC)ccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H29OP/c1-4-24(2)29-21-19-25-13-11-12-18-30(25)33(29)31-23-26(34-3)20-22-32(31)35(27-14-7-5-8-15-27)28-16-9-6-10-17-28/h4-23H,1-3H3
InChIKeyCPSRJPCUAOXNCW-UHFFFAOYSA-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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Related Compounds

[2-[2-[(E)-but-2-en-2-yl]-4-methoxynaphthalen-1-yl]phenyl]-diphenylphosphane
CID 175500352
[1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane
CID 10462740
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane
CID 177405371
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(1+);acetate
CID 21202945
bis(3,5-dimethoxyphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
CID 159583139
methyl 3-[5-(2-diphenylphosphanylnaphthalen-1-yl)-6-methoxynaphthalen-2-yl]propanoate
CID 101349305
methyl N-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]carbamate
CID 12010727
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
acetic acid;[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;ruthenium
CID 121233606
[1-[2-[(E)-hex-3-en-3-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
CID 164669467
[2-(4-but-2-en-2-yl-1,2-dihydroacenaphthylen-5-yl)phenyl]-diphenylphosphane
CID 175500428
[7-diphenylphosphanyl-8-(2-diphenylphosphanyl-7-prop-2-enoyloxynaphthalen-1-yl)naphthalen-2-yl] prop-2-enoate
CID 177076579

Frequently Asked Questions

What is the IUPAC name of [2-(2-but-2-en-2-ylnaphthalen-1-yl)-4-methoxyphenyl]-diphenylphosphane?
The IUPAC name of [2-(2-but-2-en-2-ylnaphthalen-1-yl)-4-methoxyphenyl]-diphenylphosphane (CID 175500377) is [2-(2-but-2-en-2-ylnaphthalen-1-yl)-4-methoxyphenyl]-diphenylphosphane.
What is the SMILES notation for [2-(2-but-2-en-2-ylnaphthalen-1-yl)-4-methoxyphenyl]-diphenylphosphane?
The canonical SMILES for [2-(2-but-2-en-2-ylnaphthalen-1-yl)-4-methoxyphenyl]-diphenylphosphane is CC=C(C)c1ccc2ccccc2c1-c1cc(OC)ccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(2-but-2-en-2-ylnaphthalen-1-yl)-4-methoxyphenyl]-diphenylphosphane?
The InChIKey is CPSRJPCUAOXNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29OP/c1-4-24(2)29-21-19-25-13-11-12-18-30(25)33(29)31-23-26(34-3)20-22-32(31)35(27-14-7-5-8-15-27)28-16-9-6-10-17-28/h4-23H,1-3H3.
What are the key properties of [2-(2-but-2-en-2-ylnaphthalen-1-yl)-4-methoxyphenyl]-diphenylphosphane?
[2-(2-but-2-en-2-ylnaphthalen-1-yl)-4-methoxyphenyl]-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-but-2-en-2-ylnaphthalen-1-yl)-4-methoxyphenyl]-diphenylphosphane is sourced from PubChem (CID 175500377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).