2-methyl-9,10-dipropoxy-1,4-dihydroanthracene

C21H26O2 — CID 139881193

IUPAC2-methyl-9,10-dipropoxy-1,4-dihydroanthracene
SMILESCCCOc1c2c(c(OCCC)c3ccccc13)CC(C)=CC2
InChIInChI=1S/C21H26O2/c1-4-12-22-20-16-8-6-7-9-17(16)21(23-13-5-2)19-14-15(3)10-11-18(19)20/h6-10H,4-5,11-14H2,1-3H3
InChIKeySOIJCXISINETOI-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.46
Rot. Bonds6

About 2-methyl-9,10-dipropoxy-1,4-dihydroanthracene

2-methyl-9,10-dipropoxy-1,4-dihydroanthracene (PubChem CID 139881193) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-methyl-9,10-dipropoxy-1,4-dihydroanthracene.

Molecular Properties

Compound Name2-methyl-9,10-dipropoxy-1,4-dihydroanthracene
PubChem CID139881193
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name2-methyl-9,10-dipropoxy-1,4-dihydroanthracene
SMILESCCCOc1c2c(c(OCCC)c3ccccc13)CC(C)=CC2
InChIInChI=1S/C21H26O2/c1-4-12-22-20-16-8-6-7-9-17(16)21(23-13-5-2)19-14-15(3)10-11-18(19)20/h6-10H,4-5,11-14H2,1-3H3
InChIKeySOIJCXISINETOI-UHFFFAOYSA-N
XLogP5.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-pentyl-9,10-bis(propoxymethoxy)-1,4-dihydroanthracene
CID 153323114
9,10-dihexoxy-1,4-dihydroanthracene
CID 139881183
9,10-diheptoxy-1,4-dihydroanthracene
CID 153323236
9,10-diethoxy-1,4-dihydroanthracene
CID 139881185
2-chloro-9,10-bis(2-methylpropoxy)-1,4-dihydroanthracene
CID 153323078
(10-methoxycarbonyloxy-2-methyl-1,4-dihydroanthracen-9-yl) prop-2-enoate
CID 163406401
26,26,28,28-tetraphenyl-25,27,29,30-tetrapropoxyheptacyclo[19.3.1.13,7.14,24.19,13.112,16.115,19]triaconta-1(24),3,5,7(30),9(29),10,12,15,17,19(27),21(25),22-dodecaene
CID 139178167
2,4-dichloro-1-propoxynaphthalene
CID 70099872
1,3-dimethyl-2-propoxybenzene
CID 579040
2,3-dimethyl-4-propoxynaphthalene-1-carbaldehyde
CID 86627230
9,10-dibutoxyanthracene;9,10-dipentoxyanthracene
CID 159695719
9,10-dioctoxyanthracene
CID 21304201

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9,10-dipropoxy-1,4-dihydroanthracene?
The IUPAC name of 2-methyl-9,10-dipropoxy-1,4-dihydroanthracene (CID 139881193) is 2-methyl-9,10-dipropoxy-1,4-dihydroanthracene.
What is the SMILES notation for 2-methyl-9,10-dipropoxy-1,4-dihydroanthracene?
The canonical SMILES for 2-methyl-9,10-dipropoxy-1,4-dihydroanthracene is CCCOc1c2c(c(OCCC)c3ccccc13)CC(C)=CC2.
What is the InChIKey of 2-methyl-9,10-dipropoxy-1,4-dihydroanthracene?
The InChIKey is SOIJCXISINETOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-4-12-22-20-16-8-6-7-9-17(16)21(23-13-5-2)19-14-15(3)10-11-18(19)20/h6-10H,4-5,11-14H2,1-3H3.
What are the key properties of 2-methyl-9,10-dipropoxy-1,4-dihydroanthracene?
2-methyl-9,10-dipropoxy-1,4-dihydroanthracene has a molecular weight of 310.44 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9,10-dipropoxy-1,4-dihydroanthracene is sourced from PubChem (CID 139881193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).