1-propan-2-yloxyperylene

C23H18O — CID 57281730

IUPAC1-propan-2-yloxyperylene
SMILESCC(C)Oc1ccc2cccc3c4cccc5cccc(c1c23)c54
InChIInChI=1S/C23H18O/c1-14(2)24-20-13-12-16-8-4-10-18-17-9-3-6-15-7-5-11-19(21(15)17)23(20)22(16)18/h3-14H,1-2H3
InChIKeyGVMOKSCLJMZLAF-UHFFFAOYSA-N
MW310.40 g/mol
LogP6.52
Rot. Bonds2

About 1-propan-2-yloxyperylene

1-propan-2-yloxyperylene (PubChem CID 57281730) has the molecular formula C23H18O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-propan-2-yloxyperylene.

Molecular Properties

Compound Name1-propan-2-yloxyperylene
PubChem CID57281730
Molecular FormulaC23H18O
Molecular Weight310.40 g/mol
Exact Mass310.14
IUPAC Name1-propan-2-yloxyperylene
SMILESCC(C)Oc1ccc2cccc3c4cccc5cccc(c1c23)c54
InChIInChI=1S/C23H18O/c1-14(2)24-20-13-12-16-8-4-10-18-17-9-3-6-15-7-5-11-19(21(15)17)23(20)22(16)18/h3-14H,1-2H3
InChIKeyGVMOKSCLJMZLAF-UHFFFAOYSA-N
XLogP6.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

decacyclo[19.13.1.122,26.02,7.03,20.04,17.05,14.06,11.031,35.030,36]hexatriaconta-1(34),2,4(17),5(14),6(11),7,9,12,15,18,20,22,24,26(36),27,29,31(35),32-octadecaene
CID 14087516
perylen-1-yl formate
CID 57302051
1-butoxyperylene
CID 175026597
1,4,9,10-tetra(propan-2-yloxy)anthracene
CID 139930355
trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide
CID 63677449
2-propan-2-yloxynaphthalen-1-ol
CID 23272530
undecacyclo[23.13.1.126,30.02,23.03,12.06,11.010,15.013,22.014,19.035,39.034,40]tetraconta-1(38),2,4,6(11),7,9,12,14(19),15,17,20,22,24,26,28,30(40),31,33,35(39),36-icosaene
CID 12771537
benzo[e]pyrene
CID 9128
chrysene;icosakis(2-methylpropane);perylene;phenanthrene;pyrene;triphenylene
CID 162052721
(2-propan-2-yloxynaphthalen-1-yl)boronic acid
CID 54911254
1,2,3,4,5,6,7,8-octafluoronaphthalene;perylene
CID 175456398
3-perylen-3-yloxyperylene
CID 174459664

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxyperylene?
The IUPAC name of 1-propan-2-yloxyperylene (CID 57281730) is 1-propan-2-yloxyperylene.
What is the SMILES notation for 1-propan-2-yloxyperylene?
The canonical SMILES for 1-propan-2-yloxyperylene is CC(C)Oc1ccc2cccc3c4cccc5cccc(c1c23)c54.
What is the InChIKey of 1-propan-2-yloxyperylene?
The InChIKey is GVMOKSCLJMZLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O/c1-14(2)24-20-13-12-16-8-4-10-18-17-9-3-6-15-7-5-11-19(21(15)17)23(20)22(16)18/h3-14H,1-2H3.
What are the key properties of 1-propan-2-yloxyperylene?
1-propan-2-yloxyperylene has a molecular weight of 310.40 g/mol, XLogP of 6.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxyperylene is sourced from PubChem (CID 57281730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).