7-hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene-4-carbaldehyde

C18H18O3 — CID 10062303

IUPAC7-hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene-4-carbaldehyde
SMILESCOc1cc(C=O)c2c(c1C)CCc1c-2ccc(O)c1C
InChIInChI=1S/C18H18O3/c1-10-13-4-5-14-11(2)17(21-3)8-12(9-19)18(14)15(13)6-7-16(10)20/h6-9,20H,4-5H2,1-3H3
InChIKeyVWSRJHXOXSHKMB-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.60
Rot. Bonds2

About 7-hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene-4-carbaldehyde

7-hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene-4-carbaldehyde (PubChem CID 10062303) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 7-hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene-4-carbaldehyde.

Molecular Properties

Compound Name7-hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene-4-carbaldehyde
PubChem CID10062303
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name7-hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene-4-carbaldehyde
SMILESCOc1cc(C=O)c2c(c1C)CCc1c-2ccc(O)c1C
InChIInChI=1S/C18H18O3/c1-10-13-4-5-14-11(2)17(21-3)8-12(9-19)18(14)15(13)6-7-16(10)20/h6-9,20H,4-5H2,1-3H3
InChIKeyVWSRJHXOXSHKMB-UHFFFAOYSA-N
XLogP3.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene-4-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene-4-carbaldehyde?
The IUPAC name of 7-hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene-4-carbaldehyde (CID 10062303) is 7-hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene-4-carbaldehyde.
What is the SMILES notation for 7-hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene-4-carbaldehyde?
The canonical SMILES for 7-hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene-4-carbaldehyde is COc1cc(C=O)c2c(c1C)CCc1c-2ccc(O)c1C.
What is the InChIKey of 7-hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene-4-carbaldehyde?
The InChIKey is VWSRJHXOXSHKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-10-13-4-5-14-11(2)17(21-3)8-12(9-19)18(14)15(13)6-7-16(10)20/h6-9,20H,4-5H2,1-3H3.
What are the key properties of 7-hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene-4-carbaldehyde?
7-hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene-4-carbaldehyde has a molecular weight of 282.34 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene-4-carbaldehyde is sourced from PubChem (CID 10062303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).