4-[(5-hydroxynaphthalen-1-yl)methyl]benzaldehyde

C18H14O2 — CID 88594640

IUPAC4-[(5-hydroxynaphthalen-1-yl)methyl]benzaldehyde
SMILESO=Cc1ccc(Cc2cccc3c(O)cccc23)cc1
InChIInChI=1S/C18H14O2/c19-12-14-9-7-13(8-10-14)11-15-3-1-5-17-16(15)4-2-6-18(17)20/h1-10,12,20H,11H2
InChIKeyMGEGQGRBOMGHMM-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.95
Rot. Bonds3

About 4-[(5-hydroxynaphthalen-1-yl)methyl]benzaldehyde

4-[(5-hydroxynaphthalen-1-yl)methyl]benzaldehyde (PubChem CID 88594640) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[(5-hydroxynaphthalen-1-yl)methyl]benzaldehyde.

Molecular Properties

Compound Name4-[(5-hydroxynaphthalen-1-yl)methyl]benzaldehyde
PubChem CID88594640
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name4-[(5-hydroxynaphthalen-1-yl)methyl]benzaldehyde
SMILESO=Cc1ccc(Cc2cccc3c(O)cccc23)cc1
InChIInChI=1S/C18H14O2/c19-12-14-9-7-13(8-10-14)11-15-3-1-5-17-16(15)4-2-6-18(17)20/h1-10,12,20H,11H2
InChIKeyMGEGQGRBOMGHMM-UHFFFAOYSA-N
XLogP3.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-hydroxynaphthalen-1-yl)methyl]benzaldehyde?
The IUPAC name of 4-[(5-hydroxynaphthalen-1-yl)methyl]benzaldehyde (CID 88594640) is 4-[(5-hydroxynaphthalen-1-yl)methyl]benzaldehyde.
What is the SMILES notation for 4-[(5-hydroxynaphthalen-1-yl)methyl]benzaldehyde?
The canonical SMILES for 4-[(5-hydroxynaphthalen-1-yl)methyl]benzaldehyde is O=Cc1ccc(Cc2cccc3c(O)cccc23)cc1.
What is the InChIKey of 4-[(5-hydroxynaphthalen-1-yl)methyl]benzaldehyde?
The InChIKey is MGEGQGRBOMGHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c19-12-14-9-7-13(8-10-14)11-15-3-1-5-17-16(15)4-2-6-18(17)20/h1-10,12,20H,11H2.
What are the key properties of 4-[(5-hydroxynaphthalen-1-yl)methyl]benzaldehyde?
4-[(5-hydroxynaphthalen-1-yl)methyl]benzaldehyde has a molecular weight of 262.31 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydroxynaphthalen-1-yl)methyl]benzaldehyde is sourced from PubChem (CID 88594640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).