4,7-dimethoxyphenanthren-2-ol

C16H14O3 — CID 11557896

IUPAC4,7-dimethoxyphenanthren-2-ol
SMILESCOc1ccc2c(ccc3cc(O)cc(OC)c32)c1
InChIInChI=1S/C16H14O3/c1-18-13-5-6-14-10(8-13)3-4-11-7-12(17)9-15(19-2)16(11)14/h3-9,17H,1-2H3
InChIKeyBLEJCVUXRRNLMA-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.72
Rot. Bonds2

About 4,7-dimethoxyphenanthren-2-ol

4,7-dimethoxyphenanthren-2-ol (PubChem CID 11557896) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 4,7-dimethoxyphenanthren-2-ol.

Molecular Properties

Compound Name4,7-dimethoxyphenanthren-2-ol
PubChem CID11557896
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name4,7-dimethoxyphenanthren-2-ol
SMILESCOc1ccc2c(ccc3cc(O)cc(OC)c32)c1
InChIInChI=1S/C16H14O3/c1-18-13-5-6-14-10(8-13)3-4-11-7-12(17)9-15(19-2)16(11)14/h3-9,17H,1-2H3
InChIKeyBLEJCVUXRRNLMA-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 4,7-dimethoxyphenanthren-2-ol?
The IUPAC name of 4,7-dimethoxyphenanthren-2-ol (CID 11557896) is 4,7-dimethoxyphenanthren-2-ol.
What is the SMILES notation for 4,7-dimethoxyphenanthren-2-ol?
The canonical SMILES for 4,7-dimethoxyphenanthren-2-ol is COc1ccc2c(ccc3cc(O)cc(OC)c32)c1.
What is the InChIKey of 4,7-dimethoxyphenanthren-2-ol?
The InChIKey is BLEJCVUXRRNLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-18-13-5-6-14-10(8-13)3-4-11-7-12(17)9-15(19-2)16(11)14/h3-9,17H,1-2H3.
What are the key properties of 4,7-dimethoxyphenanthren-2-ol?
4,7-dimethoxyphenanthren-2-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 4,7-dimethoxyphenanthren-2-ol is sourced from PubChem (CID 11557896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).