1,3-dihydroxy-4-naphthalen-1-ylnaphthalene-2-carbaldehyde

C21H14O3 — CID 175929446

IUPAC1,3-dihydroxy-4-naphthalen-1-ylnaphthalene-2-carbaldehyde
SMILESO=Cc1c(O)c(-c2cccc3ccccc23)c2ccccc2c1O
InChIInChI=1S/C21H14O3/c22-12-18-20(23)17-10-4-3-9-16(17)19(21(18)24)15-11-5-7-13-6-1-2-8-14(13)15/h1-12,23-24H
InChIKeyXVGKYLCWLFCWLY-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.88
Rot. Bonds2

About 1,3-dihydroxy-4-naphthalen-1-ylnaphthalene-2-carbaldehyde

1,3-dihydroxy-4-naphthalen-1-ylnaphthalene-2-carbaldehyde (PubChem CID 175929446) has the molecular formula C21H14O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1,3-dihydroxy-4-naphthalen-1-ylnaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name1,3-dihydroxy-4-naphthalen-1-ylnaphthalene-2-carbaldehyde
PubChem CID175929446
Molecular FormulaC21H14O3
Molecular Weight314.34 g/mol
Exact Mass314.09
IUPAC Name1,3-dihydroxy-4-naphthalen-1-ylnaphthalene-2-carbaldehyde
SMILESO=Cc1c(O)c(-c2cccc3ccccc23)c2ccccc2c1O
InChIInChI=1S/C21H14O3/c22-12-18-20(23)17-10-4-3-9-16(17)19(21(18)24)15-11-5-7-13-6-1-2-8-14(13)15/h1-12,23-24H
InChIKeyXVGKYLCWLFCWLY-UHFFFAOYSA-N
XLogP4.88
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.88
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

6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol
CID 162006914
2,3,4-trihydroxynaphthalene-1-carbaldehyde
CID 19689107
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
2-naphthalen-1-yl-6-phenylbenzaldehyde
CID 90885229
3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 178068775
2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120
3-amino-1,4-dihydroxynaphthalene-2-carbaldehyde
CID 59553034
1-naphthalen-1-yl-3-phenylnaphthalen-2-ol
CID 11982733
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
4,5,6,7-tetrafluoro-1-naphthalen-1-ylnaphthalene-2,3-dicarbaldehyde
CID 138986975
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
5-hydroxy-2-naphthalen-1-yl-1,3-benzoxazole-4-carbaldehyde
CID 155511013

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxy-4-naphthalen-1-ylnaphthalene-2-carbaldehyde?
The IUPAC name of 1,3-dihydroxy-4-naphthalen-1-ylnaphthalene-2-carbaldehyde (CID 175929446) is 1,3-dihydroxy-4-naphthalen-1-ylnaphthalene-2-carbaldehyde.
What is the SMILES notation for 1,3-dihydroxy-4-naphthalen-1-ylnaphthalene-2-carbaldehyde?
The canonical SMILES for 1,3-dihydroxy-4-naphthalen-1-ylnaphthalene-2-carbaldehyde is O=Cc1c(O)c(-c2cccc3ccccc23)c2ccccc2c1O.
What is the InChIKey of 1,3-dihydroxy-4-naphthalen-1-ylnaphthalene-2-carbaldehyde?
The InChIKey is XVGKYLCWLFCWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O3/c22-12-18-20(23)17-10-4-3-9-16(17)19(21(18)24)15-11-5-7-13-6-1-2-8-14(13)15/h1-12,23-24H.
What are the key properties of 1,3-dihydroxy-4-naphthalen-1-ylnaphthalene-2-carbaldehyde?
1,3-dihydroxy-4-naphthalen-1-ylnaphthalene-2-carbaldehyde has a molecular weight of 314.34 g/mol, XLogP of 4.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxy-4-naphthalen-1-ylnaphthalene-2-carbaldehyde is sourced from PubChem (CID 175929446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).