9-bromo-10-(bromomethyl)-2,3,6,7-tetramethoxyphenanthrene

C19H18Br2O4 — CID 46186035

IUPAC9-bromo-10-(bromomethyl)-2,3,6,7-tetramethoxyphenanthrene
SMILESCOc1cc2c(Br)c(CBr)c3cc(OC)c(OC)cc3c2cc1OC
InChIInChI=1S/C19H18Br2O4/c1-22-15-5-10-11-6-16(23-2)18(25-4)8-13(11)19(21)14(9-20)12(10)7-17(15)24-3/h5-8H,9H2,1-4H3
InChIKeyZFOCWCWIQJPDOW-UHFFFAOYSA-N
MW470.16 g/mol
LogP5.68
Rot. Bonds5

About 9-bromo-10-(bromomethyl)-2,3,6,7-tetramethoxyphenanthrene

9-bromo-10-(bromomethyl)-2,3,6,7-tetramethoxyphenanthrene (PubChem CID 46186035) has the molecular formula C19H18Br2O4 and a molecular weight of 470.16 g/mol. Its IUPAC name is 9-bromo-10-(bromomethyl)-2,3,6,7-tetramethoxyphenanthrene.

Molecular Properties

Compound Name9-bromo-10-(bromomethyl)-2,3,6,7-tetramethoxyphenanthrene
PubChem CID46186035
Molecular FormulaC19H18Br2O4
Molecular Weight470.16 g/mol
Exact Mass467.96
IUPAC Name9-bromo-10-(bromomethyl)-2,3,6,7-tetramethoxyphenanthrene
SMILESCOc1cc2c(Br)c(CBr)c3cc(OC)c(OC)cc3c2cc1OC
InChIInChI=1S/C19H18Br2O4/c1-22-15-5-10-11-6-16(23-2)18(25-4)8-13(11)19(21)14(9-20)12(10)7-17(15)24-3/h5-8H,9H2,1-4H3
InChIKeyZFOCWCWIQJPDOW-UHFFFAOYSA-N
XLogP5.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.16
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Bromo-2-methoxy-5-(3,4,5-trimethoxyphenyl)naphthalene
CID 60144868
1-bromo-3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene
CID 24782385
2,3,6-Trimethoxyphenanthrene
CID 44406173
10-(Bromomethyl)-2,3-dimethoxy-6-phenylmethoxyphenanthrene
CID 53326802
2-(3,4-Dimethoxyphenyl)-6-methoxynaphthalene
CID 57253638
2,3,6,7,10,11-Hexamethoxytriphenylene
CID 4607363
2-Bromo-1,6,7-trimethoxy-3-methylnaphthalene
CID 237067
2,3,6-Trimethoxy-10-methylphenanthrene
CID 44454991
3-Bromo-2-(3'-bromo-4',5'-dimethoxybenzyl)-4,5-dimethoxy-1-methylbenzene
CID 71699272
7-Bromo-1-(7-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
CID 10743041
Phenanthrene, 2,3,6,7-tetramethoxy-
CID 11460722
3,6-Dibromo-9,10-dimethoxyphenanthrene
CID 87514725

Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-(bromomethyl)-2,3,6,7-tetramethoxyphenanthrene?
The IUPAC name of 9-bromo-10-(bromomethyl)-2,3,6,7-tetramethoxyphenanthrene (CID 46186035) is 9-bromo-10-(bromomethyl)-2,3,6,7-tetramethoxyphenanthrene.
What is the SMILES notation for 9-bromo-10-(bromomethyl)-2,3,6,7-tetramethoxyphenanthrene?
The canonical SMILES for 9-bromo-10-(bromomethyl)-2,3,6,7-tetramethoxyphenanthrene is COc1cc2c(Br)c(CBr)c3cc(OC)c(OC)cc3c2cc1OC.
What is the InChIKey of 9-bromo-10-(bromomethyl)-2,3,6,7-tetramethoxyphenanthrene?
The InChIKey is ZFOCWCWIQJPDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Br2O4/c1-22-15-5-10-11-6-16(23-2)18(25-4)8-13(11)19(21)14(9-20)12(10)7-17(15)24-3/h5-8H,9H2,1-4H3.
What are the key properties of 9-bromo-10-(bromomethyl)-2,3,6,7-tetramethoxyphenanthrene?
9-bromo-10-(bromomethyl)-2,3,6,7-tetramethoxyphenanthrene has a molecular weight of 470.16 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-(bromomethyl)-2,3,6,7-tetramethoxyphenanthrene is sourced from PubChem (CID 46186035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).