1,2-di(propan-2-yloxy)anthracene

C20H22O2 — CID 174565596

IUPAC1,2-di(propan-2-yloxy)anthracene
SMILESCC(C)Oc1ccc2cc3ccccc3cc2c1OC(C)C
InChIInChI=1S/C20H22O2/c1-13(2)21-19-10-9-17-11-15-7-5-6-8-16(15)12-18(17)20(19)22-14(3)4/h5-14H,1-4H3
InChIKeyPHVVOHYUZSMCQR-UHFFFAOYSA-N
MW294.39 g/mol
LogP5.57
Rot. Bonds4

About 1,2-di(propan-2-yloxy)anthracene

1,2-di(propan-2-yloxy)anthracene (PubChem CID 174565596) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1,2-di(propan-2-yloxy)anthracene.

Molecular Properties

Compound Name1,2-di(propan-2-yloxy)anthracene
PubChem CID174565596
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name1,2-di(propan-2-yloxy)anthracene
SMILESCC(C)Oc1ccc2cc3ccccc3cc2c1OC(C)C
InChIInChI=1S/C20H22O2/c1-13(2)21-19-10-9-17-11-15-7-5-6-8-16(15)12-18(17)20(19)22-14(3)4/h5-14H,1-4H3
InChIKeyPHVVOHYUZSMCQR-UHFFFAOYSA-N
XLogP5.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.39
LogP ≤ 55.57
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

9-propan-2-yloxyanthracene
CID 13287348
(1-propan-2-yloxyanthracen-2-yl)methylphosphonic acid
CID 150393401
1-(1-phenylethoxy)anthracene
CID 87845539
2-propan-2-yloxynaphthalen-1-ol
CID 23272530
1,4,9,10-tetra(propan-2-yloxy)anthracene
CID 139930355
1-[6,7-di(propan-2-yloxy)naphthalen-1-yl]-6,7-di(propan-2-yloxy)naphthalene
CID 162469481
1,2-diethoxytetracene
CID 141276964
trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide
CID 63677449
1-methyl-2-propan-2-yloxyacridine
CID 162457996
anthracene;2-methylpropane
CID 142471530
(2-propan-2-yloxynaphthalen-1-yl)boronic acid
CID 54911254
(2-methoxyanthracen-1-yl)methanol
CID 102344428

Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yloxy)anthracene?
The IUPAC name of 1,2-di(propan-2-yloxy)anthracene (CID 174565596) is 1,2-di(propan-2-yloxy)anthracene.
What is the SMILES notation for 1,2-di(propan-2-yloxy)anthracene?
The canonical SMILES for 1,2-di(propan-2-yloxy)anthracene is CC(C)Oc1ccc2cc3ccccc3cc2c1OC(C)C.
What is the InChIKey of 1,2-di(propan-2-yloxy)anthracene?
The InChIKey is PHVVOHYUZSMCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-13(2)21-19-10-9-17-11-15-7-5-6-8-16(15)12-18(17)20(19)22-14(3)4/h5-14H,1-4H3.
What are the key properties of 1,2-di(propan-2-yloxy)anthracene?
1,2-di(propan-2-yloxy)anthracene has a molecular weight of 294.39 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yloxy)anthracene is sourced from PubChem (CID 174565596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).