9,10-dimethoxy-2-prop-1-en-2-ylanthracene

C19H18O2 — CID 102248017

IUPAC9,10-dimethoxy-2-prop-1-en-2-ylanthracene
SMILESC=C(C)c1ccc2c(OC)c3ccccc3c(OC)c2c1
InChIInChI=1S/C19H18O2/c1-12(2)13-9-10-16-17(11-13)19(21-4)15-8-6-5-7-14(15)18(16)20-3/h5-11H,1H2,2-4H3
InChIKeyYKDCSHIMWQOZIK-UHFFFAOYSA-N
MW278.35 g/mol
LogP5.04
Rot. Bonds3

About 9,10-dimethoxy-2-prop-1-en-2-ylanthracene

9,10-dimethoxy-2-prop-1-en-2-ylanthracene (PubChem CID 102248017) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 9,10-dimethoxy-2-prop-1-en-2-ylanthracene.

Molecular Properties

Compound Name9,10-dimethoxy-2-prop-1-en-2-ylanthracene
PubChem CID102248017
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name9,10-dimethoxy-2-prop-1-en-2-ylanthracene
SMILESC=C(C)c1ccc2c(OC)c3ccccc3c(OC)c2c1
InChIInChI=1S/C19H18O2/c1-12(2)13-9-10-16-17(11-13)19(21-4)15-8-6-5-7-14(15)18(16)20-3/h5-11H,1H2,2-4H3
InChIKeyYKDCSHIMWQOZIK-UHFFFAOYSA-N
XLogP5.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.35
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethoxy-2-prop-1-en-2-ylanthracene?
The IUPAC name of 9,10-dimethoxy-2-prop-1-en-2-ylanthracene (CID 102248017) is 9,10-dimethoxy-2-prop-1-en-2-ylanthracene.
What is the SMILES notation for 9,10-dimethoxy-2-prop-1-en-2-ylanthracene?
The canonical SMILES for 9,10-dimethoxy-2-prop-1-en-2-ylanthracene is C=C(C)c1ccc2c(OC)c3ccccc3c(OC)c2c1.
What is the InChIKey of 9,10-dimethoxy-2-prop-1-en-2-ylanthracene?
The InChIKey is YKDCSHIMWQOZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-12(2)13-9-10-16-17(11-13)19(21-4)15-8-6-5-7-14(15)18(16)20-3/h5-11H,1H2,2-4H3.
What are the key properties of 9,10-dimethoxy-2-prop-1-en-2-ylanthracene?
9,10-dimethoxy-2-prop-1-en-2-ylanthracene has a molecular weight of 278.35 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethoxy-2-prop-1-en-2-ylanthracene is sourced from PubChem (CID 102248017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).