ethane;4-phosphanyloxybenzaldehyde

C9H13O2P — CID 91463332

IUPACethane;4-phosphanyloxybenzaldehyde
SMILESCC.O=Cc1ccc(OP)cc1
InChIInChI=1S/C7H7O2P.C2H6/c8-5-6-1-3-7(9-10)4-2-6;1-2/h1-5H,10H2;1-2H3
InChIKeyXAZCTLYVYOMDCD-UHFFFAOYSA-N
MW184.17 g/mol
LogP2.69
Rot. Bonds2

About ethane;4-phosphanyloxybenzaldehyde

ethane;4-phosphanyloxybenzaldehyde (PubChem CID 91463332) has the molecular formula C9H13O2P and a molecular weight of 184.17 g/mol. Its IUPAC name is ethane;4-phosphanyloxybenzaldehyde.

Molecular Properties

Compound Nameethane;4-phosphanyloxybenzaldehyde
PubChem CID91463332
Molecular FormulaC9H13O2P
Molecular Weight184.17 g/mol
Exact Mass184.07
IUPAC Nameethane;4-phosphanyloxybenzaldehyde
SMILESCC.O=Cc1ccc(OP)cc1
InChIInChI=1S/C7H7O2P.C2H6/c8-5-6-1-3-7(9-10)4-2-6;1-2/h1-5H,10H2;1-2H3
InChIKeyXAZCTLYVYOMDCD-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
ethane;4-(2-methylpropoxy)benzaldehyde
CID 143325995
CID 57302108
CID 57302108
4-(2-phosphanylethoxy)benzaldehyde
CID 143962429
benzene;terephthalaldehyde
CID 163498156
benzaldehyde;ethane
CID 54495732
(4-formylphenoxy)methyl-trimethylazanium
CID 102084836
4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 102018921
(4-formylphenyl) ethaneperoxoate
CID 23111518
4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
CID 20510517
4-cyclopropyloxybenzaldehyde
CID 71423039
4-(difluoromethoxy)benzaldehyde
CID 2736986

Frequently Asked Questions

What is the IUPAC name of ethane;4-phosphanyloxybenzaldehyde?
The IUPAC name of ethane;4-phosphanyloxybenzaldehyde (CID 91463332) is ethane;4-phosphanyloxybenzaldehyde.
What is the SMILES notation for ethane;4-phosphanyloxybenzaldehyde?
The canonical SMILES for ethane;4-phosphanyloxybenzaldehyde is CC.O=Cc1ccc(OP)cc1.
What is the InChIKey of ethane;4-phosphanyloxybenzaldehyde?
The InChIKey is XAZCTLYVYOMDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O2P.C2H6/c8-5-6-1-3-7(9-10)4-2-6;1-2/h1-5H,10H2;1-2H3.
What are the key properties of ethane;4-phosphanyloxybenzaldehyde?
ethane;4-phosphanyloxybenzaldehyde has a molecular weight of 184.17 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-phosphanyloxybenzaldehyde is sourced from PubChem (CID 91463332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).