2,4-dimethoxyphenanthrene

C16H14O2 — CID 640648

IUPAC2,4-dimethoxyphenanthrene
SMILESCOc1cc(OC)c2c(ccc3ccccc32)c1
InChIInChI=1S/C16H14O2/c1-17-13-9-12-8-7-11-5-3-4-6-14(11)16(12)15(10-13)18-2/h3-10H,1-2H3
InChIKeyQBUNUQSNCREKFL-UHFFFAOYSA-N
MW238.29 g/mol
LogP4.01
Rot. Bonds2

About 2,4-dimethoxyphenanthrene

2,4-dimethoxyphenanthrene (PubChem CID 640648) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2,4-dimethoxyphenanthrene.

Molecular Properties

Compound Name2,4-dimethoxyphenanthrene
PubChem CID640648
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name2,4-dimethoxyphenanthrene
SMILESCOc1cc(OC)c2c(ccc3ccccc32)c1
InChIInChI=1S/C16H14O2/c1-17-13-9-12-8-7-11-5-3-4-6-14(11)16(12)15(10-13)18-2/h3-10H,1-2H3
InChIKeyQBUNUQSNCREKFL-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3',4,5'-Tetramethoxystilbene
CID 5354004
4-Methoxy-9,10-Dihydrophenanthrene-2,7-Diol
CID 11390848
1,4-Dimethoxyanthracene
CID 83107
Lusianthridin
CID 442702
Longistyline C
CID 6446720
2,7-Dihydroxy-4,6-dimethoxyphenanthrene
CID 44572330
6-Hydroxy-2,4,7-trimethoxyphenanthrene
CID 442694
4-(6-Hydroxy-2-naphthyl)-1,3-benzenediol
CID 16215105
2,7-Dimethoxynaphthalene
CID 77021
3,3'-Dihydroxy-2,6-bis(4-hydroxybenzyl)-5-methoxybibenzyl
CID 11282492
Cirrhopetalanthin
CID 9982511
Erianthridin
CID 10401022

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxyphenanthrene?
The IUPAC name of 2,4-dimethoxyphenanthrene (CID 640648) is 2,4-dimethoxyphenanthrene.
What is the SMILES notation for 2,4-dimethoxyphenanthrene?
The canonical SMILES for 2,4-dimethoxyphenanthrene is COc1cc(OC)c2c(ccc3ccccc32)c1.
What is the InChIKey of 2,4-dimethoxyphenanthrene?
The InChIKey is QBUNUQSNCREKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-17-13-9-12-8-7-11-5-3-4-6-14(11)16(12)15(10-13)18-2/h3-10H,1-2H3.
What are the key properties of 2,4-dimethoxyphenanthrene?
2,4-dimethoxyphenanthrene has a molecular weight of 238.29 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxyphenanthrene is sourced from PubChem (CID 640648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).