8-hydroxy-9,10-dimethoxyanthracene-2-carbaldehyde

C17H14O4 — CID 163029200

IUPAC8-hydroxy-9,10-dimethoxyanthracene-2-carbaldehyde
SMILESCOc1c2ccc(C=O)cc2c(OC)c2c(O)cccc12
InChIInChI=1S/C17H14O4/c1-20-16-11-7-6-10(9-18)8-13(11)17(21-2)15-12(16)4-3-5-14(15)19/h3-9,19H,1-2H3
InChIKeyVLJUCDZJBABGOC-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.53
Rot. Bonds3

About 8-hydroxy-9,10-dimethoxyanthracene-2-carbaldehyde

8-hydroxy-9,10-dimethoxyanthracene-2-carbaldehyde (PubChem CID 163029200) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 8-hydroxy-9,10-dimethoxyanthracene-2-carbaldehyde.

Molecular Properties

Compound Name8-hydroxy-9,10-dimethoxyanthracene-2-carbaldehyde
PubChem CID163029200
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name8-hydroxy-9,10-dimethoxyanthracene-2-carbaldehyde
SMILESCOc1c2ccc(C=O)cc2c(OC)c2c(O)cccc12
InChIInChI=1S/C17H14O4/c1-20-16-11-7-6-10(9-18)8-13(11)17(21-2)15-12(16)4-3-5-14(15)19/h3-9,19H,1-2H3
InChIKeyVLJUCDZJBABGOC-UHFFFAOYSA-N
XLogP3.53
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

7-(8-hydroxy-1,4-dimethoxy-3-methylnaphthalen-2-yl)-5,8-dimethoxy-6-methylnaphthalen-1-ol
CID 13468240
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
3-hydroxybenzaldehyde;methoxymethane
CID 163225851
CID 130345281
CID 130345281
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
9,10-dimethylanthracene-2-carbaldehyde
CID 135149055
1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromene-8-carbaldehyde
CID 71485237
10-methoxyanthracene-1-carbaldehyde
CID 139642405
hexahelicene-2,15-dicarbaldehyde
CID 10667716
4-hydroxy-3-methoxybenzaldehyde;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 139058422
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-9,10-dimethoxyanthracene-2-carbaldehyde?
The IUPAC name of 8-hydroxy-9,10-dimethoxyanthracene-2-carbaldehyde (CID 163029200) is 8-hydroxy-9,10-dimethoxyanthracene-2-carbaldehyde.
What is the SMILES notation for 8-hydroxy-9,10-dimethoxyanthracene-2-carbaldehyde?
The canonical SMILES for 8-hydroxy-9,10-dimethoxyanthracene-2-carbaldehyde is COc1c2ccc(C=O)cc2c(OC)c2c(O)cccc12.
What is the InChIKey of 8-hydroxy-9,10-dimethoxyanthracene-2-carbaldehyde?
The InChIKey is VLJUCDZJBABGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-20-16-11-7-6-10(9-18)8-13(11)17(21-2)15-12(16)4-3-5-14(15)19/h3-9,19H,1-2H3.
What are the key properties of 8-hydroxy-9,10-dimethoxyanthracene-2-carbaldehyde?
8-hydroxy-9,10-dimethoxyanthracene-2-carbaldehyde has a molecular weight of 282.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-9,10-dimethoxyanthracene-2-carbaldehyde is sourced from PubChem (CID 163029200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).