1-bis(phosphanyl)phosphanyl-5-methoxy-7-methylindole-4-carbaldehyde

C11H14NO2P3 — CID 158472162

IUPAC1-bis(phosphanyl)phosphanyl-5-methoxy-7-methylindole-4-carbaldehyde
SMILESCOc1cc(C)c2c(ccn2P(P)P)c1C=O
InChIInChI=1S/C11H14NO2P3/c1-7-5-10(14-2)9(6-13)8-3-4-12(11(7)8)17(15)16/h3-6H,15-16H2,1-2H3
InChIKeyVWZREEYHORWMIR-UHFFFAOYSA-N
MW285.16 g/mol
LogP3.60
Rot. Bonds3

About 1-bis(phosphanyl)phosphanyl-5-methoxy-7-methylindole-4-carbaldehyde

1-bis(phosphanyl)phosphanyl-5-methoxy-7-methylindole-4-carbaldehyde (PubChem CID 158472162) has the molecular formula C11H14NO2P3 and a molecular weight of 285.16 g/mol. Its IUPAC name is 1-bis(phosphanyl)phosphanyl-5-methoxy-7-methylindole-4-carbaldehyde.

Molecular Properties

Compound Name1-bis(phosphanyl)phosphanyl-5-methoxy-7-methylindole-4-carbaldehyde
PubChem CID158472162
Molecular FormulaC11H14NO2P3
Molecular Weight285.16 g/mol
Exact Mass285.02
IUPAC Name1-bis(phosphanyl)phosphanyl-5-methoxy-7-methylindole-4-carbaldehyde
SMILESCOc1cc(C)c2c(ccn2P(P)P)c1C=O
InChIInChI=1S/C11H14NO2P3/c1-7-5-10(14-2)9(6-13)8-3-4-12(11(7)8)17(15)16/h3-6H,15-16H2,1-2H3
InChIKeyVWZREEYHORWMIR-UHFFFAOYSA-N
XLogP3.60
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-formyl-5-methoxy-7-methylindol-1-yl) thiohypoiodite
CID 176667465
4-[4-[1-(4-formyl-3,5-dimethoxyphenyl)indol-4-yl]indol-1-yl]-2,6-dimethoxybenzaldehyde
CID 164566322
5-bromo-7-methyl-1-sulfanylindole-4-carbaldehyde
CID 131995043
5,7-dimethyl-1-(4-methylphenyl)sulfinylindole-4-carbaldehyde
CID 126733446
(2-formyl-3,5-dimethoxy-6-methylphenyl) acetate
CID 131861598
6-methoxy-1,5-dimethylindole-2-carbaldehyde
CID 105455209
1-(benzenesulfonyl)-5-methoxyindole-4-carbaldehyde
CID 86618256
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
8-methoxy-1,4,5-trimethyl-2-oxoquinoline-3-carbaldehyde
CID 84631857
5-methoxy-1-methylindazole-4-carbaldehyde
CID 84662481
6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde
CID 130941192
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974

Frequently Asked Questions

What is the IUPAC name of 1-bis(phosphanyl)phosphanyl-5-methoxy-7-methylindole-4-carbaldehyde?
The IUPAC name of 1-bis(phosphanyl)phosphanyl-5-methoxy-7-methylindole-4-carbaldehyde (CID 158472162) is 1-bis(phosphanyl)phosphanyl-5-methoxy-7-methylindole-4-carbaldehyde.
What is the SMILES notation for 1-bis(phosphanyl)phosphanyl-5-methoxy-7-methylindole-4-carbaldehyde?
The canonical SMILES for 1-bis(phosphanyl)phosphanyl-5-methoxy-7-methylindole-4-carbaldehyde is COc1cc(C)c2c(ccn2P(P)P)c1C=O.
What is the InChIKey of 1-bis(phosphanyl)phosphanyl-5-methoxy-7-methylindole-4-carbaldehyde?
The InChIKey is VWZREEYHORWMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO2P3/c1-7-5-10(14-2)9(6-13)8-3-4-12(11(7)8)17(15)16/h3-6H,15-16H2,1-2H3.
What are the key properties of 1-bis(phosphanyl)phosphanyl-5-methoxy-7-methylindole-4-carbaldehyde?
1-bis(phosphanyl)phosphanyl-5-methoxy-7-methylindole-4-carbaldehyde has a molecular weight of 285.16 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(phosphanyl)phosphanyl-5-methoxy-7-methylindole-4-carbaldehyde is sourced from PubChem (CID 158472162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).