2,4-dihydroxyphenanthrene-3-carbaldehyde

C15H10O3 — CID 102282696

IUPAC2,4-dihydroxyphenanthrene-3-carbaldehyde
SMILESO=Cc1c(O)cc2ccc3ccccc3c2c1O
InChIInChI=1S/C15H10O3/c16-8-12-13(17)7-10-6-5-9-3-1-2-4-11(9)14(10)15(12)18/h1-8,17-18H
InChIKeyMBWDTYBHFGJEJH-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.22
Rot. Bonds1

About 2,4-dihydroxyphenanthrene-3-carbaldehyde

2,4-dihydroxyphenanthrene-3-carbaldehyde (PubChem CID 102282696) has the molecular formula C15H10O3 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2,4-dihydroxyphenanthrene-3-carbaldehyde.

Molecular Properties

Compound Name2,4-dihydroxyphenanthrene-3-carbaldehyde
PubChem CID102282696
Molecular FormulaC15H10O3
Molecular Weight238.24 g/mol
Exact Mass238.06
IUPAC Name2,4-dihydroxyphenanthrene-3-carbaldehyde
SMILESO=Cc1c(O)cc2ccc3ccccc3c2c1O
InChIInChI=1S/C15H10O3/c16-8-12-13(17)7-10-6-5-9-3-1-2-4-11(9)14(10)15(12)18/h1-8,17-18H
InChIKeyMBWDTYBHFGJEJH-UHFFFAOYSA-N
XLogP3.22
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

phenanthrene-1,2,3,4-tetracarbaldehyde
CID 87124454
3-hydroxy-2-methylnaphthalene-1-carbaldehyde
CID 22259589
2-(2,4-dihydroxyphenyl)naphthalene-1-carbaldehyde
CID 87762112
2-hydroxy-3-(hydroxymethyl)naphthalene-1-carbaldehyde
CID 10584242
phenanthrene-2,4-diol
CID 640647
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
phenanthrene-2,3-diol
CID 23048019
2-chloronaphthalene-1-carbaldehyde
CID 19065818
pyrene-4,9-diol
CID 15270756
1,3-dihydroxy-4-naphthalen-1-ylnaphthalene-2-carbaldehyde
CID 175929446
2-chloro-3H-benzo[e]indole-1-carbaldehyde
CID 4210313
2,3,4-trihydroxynaphthalene-1-carbaldehyde
CID 19689107

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxyphenanthrene-3-carbaldehyde?
The IUPAC name of 2,4-dihydroxyphenanthrene-3-carbaldehyde (CID 102282696) is 2,4-dihydroxyphenanthrene-3-carbaldehyde.
What is the SMILES notation for 2,4-dihydroxyphenanthrene-3-carbaldehyde?
The canonical SMILES for 2,4-dihydroxyphenanthrene-3-carbaldehyde is O=Cc1c(O)cc2ccc3ccccc3c2c1O.
What is the InChIKey of 2,4-dihydroxyphenanthrene-3-carbaldehyde?
The InChIKey is MBWDTYBHFGJEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3/c16-8-12-13(17)7-10-6-5-9-3-1-2-4-11(9)14(10)15(12)18/h1-8,17-18H.
What are the key properties of 2,4-dihydroxyphenanthrene-3-carbaldehyde?
2,4-dihydroxyphenanthrene-3-carbaldehyde has a molecular weight of 238.24 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxyphenanthrene-3-carbaldehyde is sourced from PubChem (CID 102282696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).