[butyl(cyclohexyl)phosphoryl]benzene

C16H25OP — CID 66796119

IUPAC[butyl(cyclohexyl)phosphoryl]benzene
SMILESCCCCP(=O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H25OP/c1-2-3-14-18(17,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4,6-7,10-11,16H,2-3,5,8-9,12-14H2,1H3
InChIKeyMDVKYQZSIJFNRE-UHFFFAOYSA-N
MW264.35 g/mol
LogP4.81
Rot. Bonds5

About [butyl(cyclohexyl)phosphoryl]benzene

[butyl(cyclohexyl)phosphoryl]benzene (PubChem CID 66796119) has the molecular formula C16H25OP and a molecular weight of 264.35 g/mol. Its IUPAC name is [butyl(cyclohexyl)phosphoryl]benzene.

Molecular Properties

Compound Name[butyl(cyclohexyl)phosphoryl]benzene
PubChem CID66796119
Molecular FormulaC16H25OP
Molecular Weight264.35 g/mol
Exact Mass264.16
IUPAC Name[butyl(cyclohexyl)phosphoryl]benzene
SMILESCCCCP(=O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H25OP/c1-2-3-14-18(17,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4,6-7,10-11,16H,2-3,5,8-9,12-14H2,1H3
InChIKeyMDVKYQZSIJFNRE-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 54.81
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

3-[cyclohexyl(phenyl)phosphoryl]propyl methanesulfonate
CID 603389
butylsulfanyl-cyclohexyl-phenyl-sulfanylidene-λ5-phosphane
CID 21391655
cyclohexyl(hexyl)phosphinic acid;cyclohexyl(phenyl)phosphinic acid;dibutylphosphinic acid;dicyclohexylphosphinic acid;dimethylphosphinic acid;diphenylphosphinic acid
CID 158568610
butyl(phenyl)phosphinate
CID 51386598
1-dibutylphosphorylbutane;diphenylphosphorylbenzene
CID 174710140
1-[4-[benzyl(cyclohexyl)phosphoryl]phenyl]ethanone
CID 102488052
[cyclopropyl(methyl)phosphoryl]benzene
CID 601643
[cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183286
(2S)-2-butyl-1-diphenylphosphorylaziridine
CID 154729543
[cyclohexylmethyl(phenyl)phosphoryl]benzene
CID 11120069
[butyl(methoxy)phosphoryl]cyclopentane
CID 174817871
[cyclohexyl(phenyl)phosphoryl]oxybenzene
CID 174639588

Frequently Asked Questions

What is the IUPAC name of [butyl(cyclohexyl)phosphoryl]benzene?
The IUPAC name of [butyl(cyclohexyl)phosphoryl]benzene (CID 66796119) is [butyl(cyclohexyl)phosphoryl]benzene.
What is the SMILES notation for [butyl(cyclohexyl)phosphoryl]benzene?
The canonical SMILES for [butyl(cyclohexyl)phosphoryl]benzene is CCCCP(=O)(c1ccccc1)C1CCCCC1.
What is the InChIKey of [butyl(cyclohexyl)phosphoryl]benzene?
The InChIKey is MDVKYQZSIJFNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25OP/c1-2-3-14-18(17,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4,6-7,10-11,16H,2-3,5,8-9,12-14H2,1H3.
What are the key properties of [butyl(cyclohexyl)phosphoryl]benzene?
[butyl(cyclohexyl)phosphoryl]benzene has a molecular weight of 264.35 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(cyclohexyl)phosphoryl]benzene is sourced from PubChem (CID 66796119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).