2,6-dimethoxyphenanthren-4-ol

C16H14O3 — CID 71438453

IUPAC2,6-dimethoxyphenanthren-4-ol
SMILESCOc1cc(O)c2c(ccc3ccc(OC)cc32)c1
InChIInChI=1S/C16H14O3/c1-18-12-6-5-10-3-4-11-7-13(19-2)9-15(17)16(11)14(10)8-12/h3-9,17H,1-2H3
InChIKeyNTVJURNVFOEVHP-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.72
Rot. Bonds2

About 2,6-dimethoxyphenanthren-4-ol

2,6-dimethoxyphenanthren-4-ol (PubChem CID 71438453) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2,6-dimethoxyphenanthren-4-ol.

Molecular Properties

Compound Name2,6-dimethoxyphenanthren-4-ol
PubChem CID71438453
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name2,6-dimethoxyphenanthren-4-ol
SMILESCOc1cc(O)c2c(ccc3ccc(OC)cc32)c1
InChIInChI=1S/C16H14O3/c1-18-12-6-5-10-3-4-11-7-13(19-2)9-15(17)16(11)14(10)8-12/h3-9,17H,1-2H3
InChIKeyNTVJURNVFOEVHP-UHFFFAOYSA-N
XLogP3.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,6-dimethoxyphenanthren-4-ol?
The IUPAC name of 2,6-dimethoxyphenanthren-4-ol (CID 71438453) is 2,6-dimethoxyphenanthren-4-ol.
What is the SMILES notation for 2,6-dimethoxyphenanthren-4-ol?
The canonical SMILES for 2,6-dimethoxyphenanthren-4-ol is COc1cc(O)c2c(ccc3ccc(OC)cc32)c1.
What is the InChIKey of 2,6-dimethoxyphenanthren-4-ol?
The InChIKey is NTVJURNVFOEVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-18-12-6-5-10-3-4-11-7-13(19-2)9-15(17)16(11)14(10)8-12/h3-9,17H,1-2H3.
What are the key properties of 2,6-dimethoxyphenanthren-4-ol?
2,6-dimethoxyphenanthren-4-ol has a molecular weight of 254.28 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxyphenanthren-4-ol is sourced from PubChem (CID 71438453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).