4-[(3-ethenyl-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carbaldehyde;methanol

C27H30O6 — CID 177224717

IUPAC4-[(3-ethenyl-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carbaldehyde;methanol
SMILESC=Cc1cc2ccccc2c(Cc2c(O)c(C=O)cc3ccccc23)c1O.CO.CO.CO
InChIInChI=1S/C24H18O3.3CH4O/c1-2-15-11-16-7-3-5-9-19(16)21(23(15)26)13-22-20-10-6-4-8-17(20)12-18(14-25)24(22)27;3*1-2/h2-12,14,26-27H,1,13H2;3*2H,1H3
InChIKeyRUUGQDVOOXENJY-UHFFFAOYSA-N
MW450.53 g/mol
LogP4.28
Rot. Bonds4

About 4-[(3-ethenyl-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carbaldehyde;methanol

4-[(3-ethenyl-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carbaldehyde;methanol (PubChem CID 177224717) has the molecular formula C27H30O6 and a molecular weight of 450.53 g/mol. Its IUPAC name is 4-[(3-ethenyl-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carbaldehyde;methanol.

Molecular Properties

Compound Name4-[(3-ethenyl-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carbaldehyde;methanol
PubChem CID177224717
Molecular FormulaC27H30O6
Molecular Weight450.53 g/mol
Exact Mass450.20
IUPAC Name4-[(3-ethenyl-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carbaldehyde;methanol
SMILESC=Cc1cc2ccccc2c(Cc2c(O)c(C=O)cc3ccccc23)c1O.CO.CO.CO
InChIInChI=1S/C24H18O3.3CH4O/c1-2-15-11-16-7-3-5-9-19(16)21(23(15)26)13-22-20-10-6-4-8-17(20)12-18(14-25)24(22)27;3*1-2/h2-12,14,26-27H,1,13H2;3*2H,1H3
InChIKeyRUUGQDVOOXENJY-UHFFFAOYSA-N
XLogP4.28
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 54.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(3-ethenyl-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carbaldehyde;methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-bis(ethenyl)-1-propylnaphthalene
CID 143956206
3-bromo-4-hydroxynaphthalene-2-carbaldehyde
CID 141051977
bis(4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid);tetrakis(N,N-dimethylformamide)
CID 139194967
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;propan-2-one
CID 69422292
phenanthrene-2,3-dicarbaldehyde
CID 10466547
2,3-bis(ethenyl)phenanthrene
CID 144756778
2-ethenyl-3-ethylnaphthalen-1-ol
CID 91051523
9-(anthracen-9-ylmethyl)anthracene;ethane
CID 91026872
3-hydroxy-4-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalene-2-carbaldehyde
CID 132942599
ethane;2-ethenylnaphthalene-1-carbaldehyde
CID 91162051
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;oxalic acid
CID 69083270
1-(hydroxymethyl)naphthalene-2-carbaldehyde
CID 21242059

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethenyl-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carbaldehyde;methanol?
The IUPAC name of 4-[(3-ethenyl-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carbaldehyde;methanol (CID 177224717) is 4-[(3-ethenyl-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carbaldehyde;methanol.
What is the SMILES notation for 4-[(3-ethenyl-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carbaldehyde;methanol?
The canonical SMILES for 4-[(3-ethenyl-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carbaldehyde;methanol is C=Cc1cc2ccccc2c(Cc2c(O)c(C=O)cc3ccccc23)c1O.CO.CO.CO.
What is the InChIKey of 4-[(3-ethenyl-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carbaldehyde;methanol?
The InChIKey is RUUGQDVOOXENJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O3.3CH4O/c1-2-15-11-16-7-3-5-9-19(16)21(23(15)26)13-22-20-10-6-4-8-17(20)12-18(14-25)24(22)27;3*1-2/h2-12,14,26-27H,1,13H2;3*2H,1H3.
What are the key properties of 4-[(3-ethenyl-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carbaldehyde;methanol?
4-[(3-ethenyl-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carbaldehyde;methanol has a molecular weight of 450.53 g/mol, XLogP of 4.28, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethenyl-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carbaldehyde;methanol is sourced from PubChem (CID 177224717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).