butoxy-bis(4-methoxyphenyl)phosphane

C18H23O3P — CID 12682356

IUPACbutoxy-bis(4-methoxyphenyl)phosphane
SMILESCCCCOP(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H23O3P/c1-4-5-14-21-22(17-10-6-15(19-2)7-11-17)18-12-8-16(20-3)9-13-18/h6-13H,4-5,14H2,1-3H3
InChIKeyJAPNTSRFXVQLRP-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.87
Rot. Bonds8

About butoxy-bis(4-methoxyphenyl)phosphane

butoxy-bis(4-methoxyphenyl)phosphane (PubChem CID 12682356) has the molecular formula C18H23O3P and a molecular weight of 318.35 g/mol. Its IUPAC name is butoxy-bis(4-methoxyphenyl)phosphane.

Molecular Properties

Compound Namebutoxy-bis(4-methoxyphenyl)phosphane
PubChem CID12682356
Molecular FormulaC18H23O3P
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Namebutoxy-bis(4-methoxyphenyl)phosphane
SMILESCCCCOP(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H23O3P/c1-4-5-14-21-22(17-10-6-15(19-2)7-11-17)18-12-8-16(20-3)9-13-18/h6-13H,4-5,14H2,1-3H3
InChIKeyJAPNTSRFXVQLRP-UHFFFAOYSA-N
XLogP3.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bromo-(4-methoxyphenyl)-pentylphosphane
CID 175046504
1-methoxy-4-tetradecoxybenzene
CID 91712423
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136
1-methoxy-4-nonan-5-ylbenzene
CID 14937032
[(E)-2-butoxy-2-chloroethenyl]-chloro-(4-methoxyphenyl)phosphane
CID 134996130
tributyl-(4-methoxyphenyl)stannane
CID 2762547
lithium butyl-tris(4-methoxyphenyl)boranuide
CID 139652579
nickel;tetrakis(tris(4-methoxyphenyl)phosphane)
CID 161091437
1-[(1S)-1-butoxyethyl]-4-methoxybenzene
CID 102525034
tris(4-methoxyphenyl)-octylboranuide
CID 18400265
1-butylsulfonyl-4-methoxybenzene
CID 12696371
butoxy-bis(2-methylphenyl)phosphane
CID 175546633

Frequently Asked Questions

What is the IUPAC name of butoxy-bis(4-methoxyphenyl)phosphane?
The IUPAC name of butoxy-bis(4-methoxyphenyl)phosphane (CID 12682356) is butoxy-bis(4-methoxyphenyl)phosphane.
What is the SMILES notation for butoxy-bis(4-methoxyphenyl)phosphane?
The canonical SMILES for butoxy-bis(4-methoxyphenyl)phosphane is CCCCOP(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of butoxy-bis(4-methoxyphenyl)phosphane?
The InChIKey is JAPNTSRFXVQLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O3P/c1-4-5-14-21-22(17-10-6-15(19-2)7-11-17)18-12-8-16(20-3)9-13-18/h6-13H,4-5,14H2,1-3H3.
What are the key properties of butoxy-bis(4-methoxyphenyl)phosphane?
butoxy-bis(4-methoxyphenyl)phosphane has a molecular weight of 318.35 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-bis(4-methoxyphenyl)phosphane is sourced from PubChem (CID 12682356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).