bis(2-methoxycyclohexyl)-phenylphosphane

C20H31O2P — CID 91365042

IUPACbis(2-methoxycyclohexyl)-phenylphosphane
SMILESCOC1CCCCC1P(c1ccccc1)C1CCCCC1OC
InChIInChI=1S/C20H31O2P/c1-21-17-12-6-8-14-19(17)23(16-10-4-3-5-11-16)20-15-9-7-13-18(20)22-2/h3-5,10-11,17-20H,6-9,12-15H2,1-2H3
InChIKeyNQNBQFFITSPXPZ-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.71
Rot. Bonds5

About bis(2-methoxycyclohexyl)-phenylphosphane

bis(2-methoxycyclohexyl)-phenylphosphane (PubChem CID 91365042) has the molecular formula C20H31O2P and a molecular weight of 334.44 g/mol. Its IUPAC name is bis(2-methoxycyclohexyl)-phenylphosphane.

Molecular Properties

Compound Namebis(2-methoxycyclohexyl)-phenylphosphane
PubChem CID91365042
Molecular FormulaC20H31O2P
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Namebis(2-methoxycyclohexyl)-phenylphosphane
SMILESCOC1CCCCC1P(c1ccccc1)C1CCCCC1OC
InChIInChI=1S/C20H31O2P/c1-21-17-12-6-8-14-19(17)23(16-10-4-3-5-11-16)20-15-9-7-13-18(20)22-2/h3-5,10-11,17-20H,6-9,12-15H2,1-2H3
InChIKeyNQNBQFFITSPXPZ-UHFFFAOYSA-N
XLogP4.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.71
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

bis(dicyclohexyl(phenyl)phosphane);dihydrobromide
CID 173326608
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
phenyl-bis(2-phenylcyclopentyl)phosphane
CID 59045177
[(2R)-2-[(1R)-2-diphenylphosphanylcyclopentyl]cyclopentyl]-diphenylphosphane
CID 15361438
[(1S,2R)-2-methoxycyclohexyl]sulfonylbenzene
CID 102011158
acetic acid;dicyclohexyl(phenyl)phosphane
CID 172794555
2-diphenylphosphanylcyclohexan-1-ol
CID 15198683
[(1R,2R)-2-methoxycyclopentyl]selanylbenzene
CID 13444245
2-diphenylphosphanylcyclohexane-1-thiol
CID 132606226
(1R)-2-diphenylphosphanylcyclohexan-1-amine
CID 155884941
7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane
CID 13406447
tris(dicyclohexyl(phenyl)phosphane);gold(1+);perchlorate
CID 57357504

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxycyclohexyl)-phenylphosphane?
The IUPAC name of bis(2-methoxycyclohexyl)-phenylphosphane (CID 91365042) is bis(2-methoxycyclohexyl)-phenylphosphane.
What is the SMILES notation for bis(2-methoxycyclohexyl)-phenylphosphane?
The canonical SMILES for bis(2-methoxycyclohexyl)-phenylphosphane is COC1CCCCC1P(c1ccccc1)C1CCCCC1OC.
What is the InChIKey of bis(2-methoxycyclohexyl)-phenylphosphane?
The InChIKey is NQNBQFFITSPXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31O2P/c1-21-17-12-6-8-14-19(17)23(16-10-4-3-5-11-16)20-15-9-7-13-18(20)22-2/h3-5,10-11,17-20H,6-9,12-15H2,1-2H3.
What are the key properties of bis(2-methoxycyclohexyl)-phenylphosphane?
bis(2-methoxycyclohexyl)-phenylphosphane has a molecular weight of 334.44 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxycyclohexyl)-phenylphosphane is sourced from PubChem (CID 91365042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).