phosphane;1,3,5-trimethoxybenzene

C9H15O3P — CID 175232895

IUPACphosphane;1,3,5-trimethoxybenzene
SMILESCOc1cc(OC)cc(OC)c1.P
InChIInChI=1S/C9H12O3.H3P/c1-10-7-4-8(11-2)6-9(5-7)12-3;/h4-6H,1-3H3;1H3
InChIKeyHDKJMRDXFOABSR-UHFFFAOYSA-N
MW202.19 g/mol
LogP1.77
Rot. Bonds3

About phosphane;1,3,5-trimethoxybenzene

phosphane;1,3,5-trimethoxybenzene (PubChem CID 175232895) has the molecular formula C9H15O3P and a molecular weight of 202.19 g/mol. Its IUPAC name is phosphane;1,3,5-trimethoxybenzene.

Molecular Properties

Compound Namephosphane;1,3,5-trimethoxybenzene
PubChem CID175232895
Molecular FormulaC9H15O3P
Molecular Weight202.19 g/mol
Exact Mass202.08
IUPAC Namephosphane;1,3,5-trimethoxybenzene
SMILESCOc1cc(OC)cc(OC)c1.P
InChIInChI=1S/C9H12O3.H3P/c1-10-7-4-8(11-2)6-9(5-7)12-3;/h4-6H,1-3H3;1H3
InChIKeyHDKJMRDXFOABSR-UHFFFAOYSA-N
XLogP1.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
(3,5-dimethoxyphenyl)phosphane
CID 23215298
1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
CID 139197183
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
1,3,5-trimethoxybenzene;urea
CID 174919725
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
1-[(3,5-dimethoxyphenyl)-methoxymethyl]-3,5-dimethoxybenzene
CID 126607837
1,3-dimethoxy-5-(methoxymethoxy)benzene
CID 11194953
1,3-dimethoxy-5-(trimethoxymethyl)benzene
CID 103399645
azane;1,3-dimethoxybenzene
CID 70210283
1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345

Frequently Asked Questions

What is the IUPAC name of phosphane;1,3,5-trimethoxybenzene?
The IUPAC name of phosphane;1,3,5-trimethoxybenzene (CID 175232895) is phosphane;1,3,5-trimethoxybenzene.
What is the SMILES notation for phosphane;1,3,5-trimethoxybenzene?
The canonical SMILES for phosphane;1,3,5-trimethoxybenzene is COc1cc(OC)cc(OC)c1.P.
What is the InChIKey of phosphane;1,3,5-trimethoxybenzene?
The InChIKey is HDKJMRDXFOABSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3.H3P/c1-10-7-4-8(11-2)6-9(5-7)12-3;/h4-6H,1-3H3;1H3.
What are the key properties of phosphane;1,3,5-trimethoxybenzene?
phosphane;1,3,5-trimethoxybenzene has a molecular weight of 202.19 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphane;1,3,5-trimethoxybenzene is sourced from PubChem (CID 175232895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).