1-[(4-hydroxyphenyl)methyl]-4,7-dimethoxyphenanthren-2-ol

C23H20O4 — CID 155520502

IUPAC1-[(4-hydroxyphenyl)methyl]-4,7-dimethoxyphenanthren-2-ol
SMILESCOc1ccc2c(ccc3c(Cc4ccc(O)cc4)c(O)cc(OC)c32)c1
InChIInChI=1S/C23H20O4/c1-26-17-8-10-18-15(12-17)5-9-19-20(11-14-3-6-16(24)7-4-14)21(25)13-22(27-2)23(18)19/h3-10,12-13,24-25H,11H2,1-2H3
InChIKeyDEEOMPQAWRRBPA-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.01
Rot. Bonds4

About 1-[(4-hydroxyphenyl)methyl]-4,7-dimethoxyphenanthren-2-ol

1-[(4-hydroxyphenyl)methyl]-4,7-dimethoxyphenanthren-2-ol (PubChem CID 155520502) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]-4,7-dimethoxyphenanthren-2-ol.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]-4,7-dimethoxyphenanthren-2-ol
PubChem CID155520502
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name1-[(4-hydroxyphenyl)methyl]-4,7-dimethoxyphenanthren-2-ol
SMILESCOc1ccc2c(ccc3c(Cc4ccc(O)cc4)c(O)cc(OC)c32)c1
InChIInChI=1S/C23H20O4/c1-26-17-8-10-18-15(12-17)5-9-19-20(11-14-3-6-16(24)7-4-14)21(25)13-22(27-2)23(18)19/h3-10,12-13,24-25H,11H2,1-2H3
InChIKeyDEEOMPQAWRRBPA-UHFFFAOYSA-N
XLogP5.01
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]-4,7-dimethoxyphenanthren-2-ol?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]-4,7-dimethoxyphenanthren-2-ol (CID 155520502) is 1-[(4-hydroxyphenyl)methyl]-4,7-dimethoxyphenanthren-2-ol.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]-4,7-dimethoxyphenanthren-2-ol?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]-4,7-dimethoxyphenanthren-2-ol is COc1ccc2c(ccc3c(Cc4ccc(O)cc4)c(O)cc(OC)c32)c1.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]-4,7-dimethoxyphenanthren-2-ol?
The InChIKey is DEEOMPQAWRRBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4/c1-26-17-8-10-18-15(12-17)5-9-19-20(11-14-3-6-16(24)7-4-14)21(25)13-22(27-2)23(18)19/h3-10,12-13,24-25H,11H2,1-2H3.
What are the key properties of 1-[(4-hydroxyphenyl)methyl]-4,7-dimethoxyphenanthren-2-ol?
1-[(4-hydroxyphenyl)methyl]-4,7-dimethoxyphenanthren-2-ol has a molecular weight of 360.41 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methyl]-4,7-dimethoxyphenanthren-2-ol is sourced from PubChem (CID 155520502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).