(2-butylphenyl)-naphthalen-1-ylphosphane

C20H21P — CID 150973270

IUPAC(2-butylphenyl)-naphthalen-1-ylphosphane
SMILESCCCCc1ccccc1Pc1cccc2ccccc12
InChIInChI=1S/C20H21P/c1-2-3-9-17-11-5-7-14-19(17)21-20-15-8-12-16-10-4-6-13-18(16)20/h4-8,10-15,21H,2-3,9H2,1H3
InChIKeyLOOJKYVFZBQAFB-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.81
Rot. Bonds5

About (2-butylphenyl)-naphthalen-1-ylphosphane

(2-butylphenyl)-naphthalen-1-ylphosphane (PubChem CID 150973270) has the molecular formula C20H21P and a molecular weight of 292.36 g/mol. Its IUPAC name is (2-butylphenyl)-naphthalen-1-ylphosphane.

Molecular Properties

Compound Name(2-butylphenyl)-naphthalen-1-ylphosphane
PubChem CID150973270
Molecular FormulaC20H21P
Molecular Weight292.36 g/mol
Exact Mass292.14
IUPAC Name(2-butylphenyl)-naphthalen-1-ylphosphane
SMILESCCCCc1ccccc1Pc1cccc2ccccc12
InChIInChI=1S/C20H21P/c1-2-3-9-17-11-5-7-14-19(17)21-20-15-8-12-16-10-4-6-13-18(16)20/h4-8,10-15,21H,2-3,9H2,1H3
InChIKeyLOOJKYVFZBQAFB-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butylnaphthalene;ethane
CID 142087052
azane;1-butylnaphthalene;methane
CID 174691035
1-tetradecylnaphthalene
CID 14402128
2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
CID 59129933
potassium;hydride;1-octylnaphthalene
CID 173443599
CID 159940559
CID 159940559
1,2-dibutylnaphthalene;naphthalene
CID 157292740
1-pentylnaphthalene;sulfuric acid
CID 172842201
8-butylbenzo[e]pyrene
CID 150037437
1-nonylnaphthalene;sulfuric acid
CID 172712573
1-nonylnaphthalene;sulfuric acid
CID 154996092
1-[(E)-henicos-4-enyl]naphthalene
CID 101307724

Frequently Asked Questions

What is the IUPAC name of (2-butylphenyl)-naphthalen-1-ylphosphane?
The IUPAC name of (2-butylphenyl)-naphthalen-1-ylphosphane (CID 150973270) is (2-butylphenyl)-naphthalen-1-ylphosphane.
What is the SMILES notation for (2-butylphenyl)-naphthalen-1-ylphosphane?
The canonical SMILES for (2-butylphenyl)-naphthalen-1-ylphosphane is CCCCc1ccccc1Pc1cccc2ccccc12.
What is the InChIKey of (2-butylphenyl)-naphthalen-1-ylphosphane?
The InChIKey is LOOJKYVFZBQAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21P/c1-2-3-9-17-11-5-7-14-19(17)21-20-15-8-12-16-10-4-6-13-18(16)20/h4-8,10-15,21H,2-3,9H2,1H3.
What are the key properties of (2-butylphenyl)-naphthalen-1-ylphosphane?
(2-butylphenyl)-naphthalen-1-ylphosphane has a molecular weight of 292.36 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylphenyl)-naphthalen-1-ylphosphane is sourced from PubChem (CID 150973270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).