3-hydroxy-4-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalene-2-carbaldehyde

C28H20O3 — CID 132942599

IUPAC3-hydroxy-4-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalene-2-carbaldehyde
SMILESO=Cc1cc2ccccc2c(-c2c(C(O)c3ccccc3)ccc3ccccc23)c1O
InChIInChI=1S/C28H20O3/c29-17-21-16-20-11-5-7-13-23(20)26(28(21)31)25-22-12-6-4-8-18(22)14-15-24(25)27(30)19-9-2-1-3-10-19/h1-17,27,30-31H
InChIKeyKKADCBGBTWIENG-UHFFFAOYSA-N
MW404.47 g/mol
LogP6.26
Rot. Bonds4

About 3-hydroxy-4-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalene-2-carbaldehyde

3-hydroxy-4-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalene-2-carbaldehyde (PubChem CID 132942599) has the molecular formula C28H20O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-hydroxy-4-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name3-hydroxy-4-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalene-2-carbaldehyde
PubChem CID132942599
Molecular FormulaC28H20O3
Molecular Weight404.47 g/mol
Exact Mass404.14
IUPAC Name3-hydroxy-4-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalene-2-carbaldehyde
SMILESO=Cc1cc2ccccc2c(-c2c(C(O)c3ccccc3)ccc3ccccc23)c1O
InChIInChI=1S/C28H20O3/c29-17-21-16-20-11-5-7-13-23(20)26(28(21)31)25-22-12-6-4-8-18(22)14-15-24(25)27(30)19-9-2-1-3-10-19/h1-17,27,30-31H
InChIKeyKKADCBGBTWIENG-UHFFFAOYSA-N
XLogP6.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(R)-hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol
CID 56925391
3-diphenylphosphanyl-1-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol
CID 132942598
3-bromo-4-hydroxynaphthalene-2-carbaldehyde
CID 141051977
phenanthrene-2,3-dicarbaldehyde
CID 10466547
4-[(3-ethenyl-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carbaldehyde;methanol
CID 177224717
3-[[(1R,2R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-1,2-diphenylethyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;acetate
CID 159266741
3-tert-butyl-5-[1-[2-(3-tert-butyl-5-formyl-4-hydroxyphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxy-2-hydroxybenzaldehyde
CID 101472716
manganese(3+);1-(2-methylnaphthalen-1-yl)-3-[[2-[[4-(2-methylnaphthalen-1-yl)-3-oxidonaphthalen-2-yl]methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-olate;acetate
CID 11981327
1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(4-methylphenyl)urea
CID 58058387
phenyl(pyren-4-yl)methanol
CID 10733609
(2R)-2-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3-phenylpropanoic acid
CID 135436754
(2S)-2-[[4-(2-benzoyloxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]methylideneamino]propanoic acid
CID 136698344

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalene-2-carbaldehyde?
The IUPAC name of 3-hydroxy-4-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalene-2-carbaldehyde (CID 132942599) is 3-hydroxy-4-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalene-2-carbaldehyde.
What is the SMILES notation for 3-hydroxy-4-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalene-2-carbaldehyde?
The canonical SMILES for 3-hydroxy-4-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalene-2-carbaldehyde is O=Cc1cc2ccccc2c(-c2c(C(O)c3ccccc3)ccc3ccccc23)c1O.
What is the InChIKey of 3-hydroxy-4-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalene-2-carbaldehyde?
The InChIKey is KKADCBGBTWIENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20O3/c29-17-21-16-20-11-5-7-13-23(20)26(28(21)31)25-22-12-6-4-8-18(22)14-15-24(25)27(30)19-9-2-1-3-10-19/h1-17,27,30-31H.
What are the key properties of 3-hydroxy-4-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalene-2-carbaldehyde?
3-hydroxy-4-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalene-2-carbaldehyde has a molecular weight of 404.47 g/mol, XLogP of 6.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalene-2-carbaldehyde is sourced from PubChem (CID 132942599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).