3,6-dimethoxyphenanthren-4-ol

C16H14O3 — CID 617472

IUPAC3,6-dimethoxyphenanthren-4-ol
SMILESCOc1ccc2ccc3ccc(OC)c(O)c3c2c1
InChIInChI=1S/C16H14O3/c1-18-12-7-5-10-3-4-11-6-8-14(19-2)16(17)15(11)13(10)9-12/h3-9,17H,1-2H3
InChIKeyGKDSKCYMUUXQLA-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.72
Rot. Bonds2

About 3,6-dimethoxyphenanthren-4-ol

3,6-dimethoxyphenanthren-4-ol (PubChem CID 617472) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 3,6-dimethoxyphenanthren-4-ol.

Molecular Properties

Compound Name3,6-dimethoxyphenanthren-4-ol
PubChem CID617472
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name3,6-dimethoxyphenanthren-4-ol
SMILESCOc1ccc2ccc3ccc(OC)c(O)c3c2c1
InChIInChI=1S/C16H14O3/c1-18-12-7-5-10-3-4-11-6-8-14(19-2)16(17)15(11)13(10)9-12/h3-9,17H,1-2H3
InChIKeyGKDSKCYMUUXQLA-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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Related Compounds

(+)-Isolariciresinol
CID 160521
4-Methoxy-9,10-Dihydrophenanthrene-2,7-Diol
CID 11390848
Lusianthridin
CID 442702
Riccardin D
CID 11510446
Benzo[a]pyrene-7,8-diol
CID 42267
Anthrarobin
CID 11342
2,7-Dihydroxy-4,6-dimethoxyphenanthrene
CID 44572330
6-Hydroxy-2,4,7-trimethoxyphenanthrene
CID 442694
Apogossypol
CID 454878
7-Methyl-5-(1-methylethyl)-2H-naphtho(1,8-bc)furan-3,4-diol
CID 119497
Desoxyhemigossypol-6-methyl ether
CID 373913
Riccardin C
CID 10070992

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxyphenanthren-4-ol?
The IUPAC name of 3,6-dimethoxyphenanthren-4-ol (CID 617472) is 3,6-dimethoxyphenanthren-4-ol.
What is the SMILES notation for 3,6-dimethoxyphenanthren-4-ol?
The canonical SMILES for 3,6-dimethoxyphenanthren-4-ol is COc1ccc2ccc3ccc(OC)c(O)c3c2c1.
What is the InChIKey of 3,6-dimethoxyphenanthren-4-ol?
The InChIKey is GKDSKCYMUUXQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-18-12-7-5-10-3-4-11-6-8-14(19-2)16(17)15(11)13(10)9-12/h3-9,17H,1-2H3.
What are the key properties of 3,6-dimethoxyphenanthren-4-ol?
3,6-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 3,6-dimethoxyphenanthren-4-ol is sourced from PubChem (CID 617472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).