6-[4-(2-hydroxyethoxy)phenyl]-6-oxohexanal

C14H18O4 — CID 143935071

IUPAC6-[4-(2-hydroxyethoxy)phenyl]-6-oxohexanal
SMILESO=CCCCCC(=O)c1ccc(OCCO)cc1
InChIInChI=1S/C14H18O4/c15-9-3-1-2-4-14(17)12-5-7-13(8-6-12)18-11-10-16/h5-9,16H,1-4,10-11H2
InChIKeyRCMFPUZRHGYZGX-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.00
Rot. Bonds9

About 6-[4-(2-hydroxyethoxy)phenyl]-6-oxohexanal

6-[4-(2-hydroxyethoxy)phenyl]-6-oxohexanal (PubChem CID 143935071) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 6-[4-(2-hydroxyethoxy)phenyl]-6-oxohexanal.

Molecular Properties

Compound Name6-[4-(2-hydroxyethoxy)phenyl]-6-oxohexanal
PubChem CID143935071
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name6-[4-(2-hydroxyethoxy)phenyl]-6-oxohexanal
SMILESO=CCCCCC(=O)c1ccc(OCCO)cc1
InChIInChI=1S/C14H18O4/c15-9-3-1-2-4-14(17)12-5-7-13(8-6-12)18-11-10-16/h5-9,16H,1-4,10-11H2
InChIKeyRCMFPUZRHGYZGX-UHFFFAOYSA-N
XLogP2.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-hydroxyethoxy)phenyl]-6-oxohexanal?
The IUPAC name of 6-[4-(2-hydroxyethoxy)phenyl]-6-oxohexanal (CID 143935071) is 6-[4-(2-hydroxyethoxy)phenyl]-6-oxohexanal.
What is the SMILES notation for 6-[4-(2-hydroxyethoxy)phenyl]-6-oxohexanal?
The canonical SMILES for 6-[4-(2-hydroxyethoxy)phenyl]-6-oxohexanal is O=CCCCCC(=O)c1ccc(OCCO)cc1.
What is the InChIKey of 6-[4-(2-hydroxyethoxy)phenyl]-6-oxohexanal?
The InChIKey is RCMFPUZRHGYZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c15-9-3-1-2-4-14(17)12-5-7-13(8-6-12)18-11-10-16/h5-9,16H,1-4,10-11H2.
What are the key properties of 6-[4-(2-hydroxyethoxy)phenyl]-6-oxohexanal?
6-[4-(2-hydroxyethoxy)phenyl]-6-oxohexanal has a molecular weight of 250.29 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-hydroxyethoxy)phenyl]-6-oxohexanal is sourced from PubChem (CID 143935071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).