(2-butylphenyl)-dicyclopropyloxyphosphane

C16H23O2P — CID 69048795

IUPAC(2-butylphenyl)-dicyclopropyloxyphosphane
SMILESCCCCc1ccccc1P(OC1CC1)OC1CC1
InChIInChI=1S/C16H23O2P/c1-2-3-6-13-7-4-5-8-16(13)19(17-14-9-10-14)18-15-11-12-15/h4-5,7-8,14-15H,2-3,6,9-12H2,1H3
InChIKeyZOKNBGWHAVLKSF-UHFFFAOYSA-N
MW278.33 g/mol
LogP4.32
Rot. Bonds8

About (2-butylphenyl)-dicyclopropyloxyphosphane

(2-butylphenyl)-dicyclopropyloxyphosphane (PubChem CID 69048795) has the molecular formula C16H23O2P and a molecular weight of 278.33 g/mol. Its IUPAC name is (2-butylphenyl)-dicyclopropyloxyphosphane.

Molecular Properties

Compound Name(2-butylphenyl)-dicyclopropyloxyphosphane
PubChem CID69048795
Molecular FormulaC16H23O2P
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name(2-butylphenyl)-dicyclopropyloxyphosphane
SMILESCCCCc1ccccc1P(OC1CC1)OC1CC1
InChIInChI=1S/C16H23O2P/c1-2-3-6-13-7-4-5-8-16(13)19(17-14-9-10-14)18-15-11-12-15/h4-5,7-8,14-15H,2-3,6,9-12H2,1H3
InChIKeyZOKNBGWHAVLKSF-UHFFFAOYSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bis(2-butylphenyl)phosphanyloctyl-bis(2-butylphenyl)phosphane
CID 90109751
1-bis(2-butylphenyl)phosphanylpentyl-bis(2-butylphenyl)phosphane
CID 90109957
bis(2-butylphenyl)-[1,2,2-tris[bis(2-butylphenyl)phosphanyl]cyclohexyl]phosphane
CID 90109967
(2-butylphenyl)-diphenylphosphane;hydrobromide
CID 173070100
CID 159940559
CID 159940559
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1-ethyl-2-henicosylbenzene
CID 141174443
bis(2-butylphenyl)-[1,1,1-tris[bis(2-butylphenyl)phosphanyl]butan-2-yl]phosphane
CID 90108571

Frequently Asked Questions

What is the IUPAC name of (2-butylphenyl)-dicyclopropyloxyphosphane?
The IUPAC name of (2-butylphenyl)-dicyclopropyloxyphosphane (CID 69048795) is (2-butylphenyl)-dicyclopropyloxyphosphane.
What is the SMILES notation for (2-butylphenyl)-dicyclopropyloxyphosphane?
The canonical SMILES for (2-butylphenyl)-dicyclopropyloxyphosphane is CCCCc1ccccc1P(OC1CC1)OC1CC1.
What is the InChIKey of (2-butylphenyl)-dicyclopropyloxyphosphane?
The InChIKey is ZOKNBGWHAVLKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23O2P/c1-2-3-6-13-7-4-5-8-16(13)19(17-14-9-10-14)18-15-11-12-15/h4-5,7-8,14-15H,2-3,6,9-12H2,1H3.
What are the key properties of (2-butylphenyl)-dicyclopropyloxyphosphane?
(2-butylphenyl)-dicyclopropyloxyphosphane has a molecular weight of 278.33 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylphenyl)-dicyclopropyloxyphosphane is sourced from PubChem (CID 69048795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).