2,7-bis(propan-2-yloxymethyl)anthracene

C22H26O2 — CID 176781411

IUPAC2,7-bis(propan-2-yloxymethyl)anthracene
SMILESCC(C)OCc1ccc2cc3ccc(COC(C)C)cc3cc2c1
InChIInChI=1S/C22H26O2/c1-15(2)23-13-17-5-7-19-11-20-8-6-18(14-24-16(3)4)10-22(20)12-21(19)9-17/h5-12,15-16H,13-14H2,1-4H3
InChIKeyWRILRGKQCDWLNB-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.84
Rot. Bonds6

About 2,7-bis(propan-2-yloxymethyl)anthracene

2,7-bis(propan-2-yloxymethyl)anthracene (PubChem CID 176781411) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2,7-bis(propan-2-yloxymethyl)anthracene.

Molecular Properties

Compound Name2,7-bis(propan-2-yloxymethyl)anthracene
PubChem CID176781411
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name2,7-bis(propan-2-yloxymethyl)anthracene
SMILESCC(C)OCc1ccc2cc3ccc(COC(C)C)cc3cc2c1
InChIInChI=1S/C22H26O2/c1-15(2)23-13-17-5-7-19-11-20-8-6-18(14-24-16(3)4)10-22(20)12-21(19)9-17/h5-12,15-16H,13-14H2,1-4H3
InChIKeyWRILRGKQCDWLNB-UHFFFAOYSA-N
XLogP5.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.84
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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Related Compounds

N-propan-2-yl-6-(propan-2-yloxymethyl)naphthalen-2-amine
CID 164783421
6-(propan-2-yloxymethyl)-1-benzofuran
CID 171518537
5-(propan-2-yloxymethyl)-1-benzofuran
CID 166645966
1-[2,4-bis(propan-2-yloxymethyl)phenyl]-2,4-bis(propan-2-yloxymethyl)benzene
CID 139792803
1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene
CID 70670788
2-methyl-5-(propan-2-yloxymethyl)phenol
CID 117222042
1-chloro-4-(propan-2-yloxymethyl)benzene
CID 23548339
1-methyl-3-(propan-2-yloxymethyl)benzene
CID 10464662
1-[[6-(propan-2-ylamino)naphthalen-2-yl]methoxy]ethanethiol
CID 170094565
2-(methoxymethyl)-6-propan-2-ylnaphthalene
CID 142029465
1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene
CID 91726745
1-[3-(propan-2-yloxymethyl)phenyl]propan-2-amine
CID 83883412

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(propan-2-yloxymethyl)anthracene?
The IUPAC name of 2,7-bis(propan-2-yloxymethyl)anthracene (CID 176781411) is 2,7-bis(propan-2-yloxymethyl)anthracene.
What is the SMILES notation for 2,7-bis(propan-2-yloxymethyl)anthracene?
The canonical SMILES for 2,7-bis(propan-2-yloxymethyl)anthracene is CC(C)OCc1ccc2cc3ccc(COC(C)C)cc3cc2c1.
What is the InChIKey of 2,7-bis(propan-2-yloxymethyl)anthracene?
The InChIKey is WRILRGKQCDWLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2/c1-15(2)23-13-17-5-7-19-11-20-8-6-18(14-24-16(3)4)10-22(20)12-21(19)9-17/h5-12,15-16H,13-14H2,1-4H3.
What are the key properties of 2,7-bis(propan-2-yloxymethyl)anthracene?
2,7-bis(propan-2-yloxymethyl)anthracene has a molecular weight of 322.45 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(propan-2-yloxymethyl)anthracene is sourced from PubChem (CID 176781411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).