tris(1,3-dimethoxybenzene);phosphane

C24H33O6P — CID 160853878

IUPACtris(1,3-dimethoxybenzene);phosphane
SMILESCOc1cccc(OC)c1.COc1cccc(OC)c1.COc1cccc(OC)c1.P
InChIInChI=1S/3C8H10O2.H3P/c3*1-9-7-4-3-5-8(6-7)10-2;/h3*3-6H,1-2H3;1H3
InChIKeySJPPCSAMRLODMM-UHFFFAOYSA-N
MW448.50 g/mol
LogP5.17
Rot. Bonds6

About tris(1,3-dimethoxybenzene);phosphane

tris(1,3-dimethoxybenzene);phosphane (PubChem CID 160853878) has the molecular formula C24H33O6P and a molecular weight of 448.50 g/mol. Its IUPAC name is tris(1,3-dimethoxybenzene);phosphane.

Molecular Properties

Compound Nametris(1,3-dimethoxybenzene);phosphane
PubChem CID160853878
Molecular FormulaC24H33O6P
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Nametris(1,3-dimethoxybenzene);phosphane
SMILESCOc1cccc(OC)c1.COc1cccc(OC)c1.COc1cccc(OC)c1.P
InChIInChI=1S/3C8H10O2.H3P/c3*1-9-7-4-3-5-8(6-7)10-2;/h3*3-6H,1-2H3;1H3
InChIKeySJPPCSAMRLODMM-UHFFFAOYSA-N
XLogP5.17
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.50
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azane;1,3-dimethoxybenzene
CID 70210283
CID 172849383
CID 172849383
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391
calcium;1,3-dimethoxybenzene;hydride
CID 174808068
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
CID 139245906
CID 139245906
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
phosphane;1,3,5-trimethoxybenzene
CID 175232895
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
CID 153354664
CID 153354664

Frequently Asked Questions

What is the IUPAC name of tris(1,3-dimethoxybenzene);phosphane?
The IUPAC name of tris(1,3-dimethoxybenzene);phosphane (CID 160853878) is tris(1,3-dimethoxybenzene);phosphane.
What is the SMILES notation for tris(1,3-dimethoxybenzene);phosphane?
The canonical SMILES for tris(1,3-dimethoxybenzene);phosphane is COc1cccc(OC)c1.COc1cccc(OC)c1.COc1cccc(OC)c1.P.
What is the InChIKey of tris(1,3-dimethoxybenzene);phosphane?
The InChIKey is SJPPCSAMRLODMM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H10O2.H3P/c3*1-9-7-4-3-5-8(6-7)10-2;/h3*3-6H,1-2H3;1H3.
What are the key properties of tris(1,3-dimethoxybenzene);phosphane?
tris(1,3-dimethoxybenzene);phosphane has a molecular weight of 448.50 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,3-dimethoxybenzene);phosphane is sourced from PubChem (CID 160853878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).