1-prop-2-enoxyanthracene

C17H14O — CID 141089148

IUPAC1-prop-2-enoxyanthracene
SMILESC=CCOc1cccc2cc3ccccc3cc12
InChIInChI=1S/C17H14O/c1-2-10-18-17-9-5-8-15-11-13-6-3-4-7-14(13)12-16(15)17/h2-9,11-12H,1,10H2
InChIKeyFPUOMAUDWXVJPR-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.56
Rot. Bonds3

About 1-prop-2-enoxyanthracene

1-prop-2-enoxyanthracene (PubChem CID 141089148) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-prop-2-enoxyanthracene.

Molecular Properties

Compound Name1-prop-2-enoxyanthracene
PubChem CID141089148
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name1-prop-2-enoxyanthracene
SMILESC=CCOc1cccc2cc3ccccc3cc12
InChIInChI=1S/C17H14O/c1-2-10-18-17-9-5-8-15-11-13-6-3-4-7-14(13)12-16(15)17/h2-9,11-12H,1,10H2
InChIKeyFPUOMAUDWXVJPR-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-ethenoxy-1-prop-2-enoxynaphthalene
CID 164732321
oxirane;1-prop-2-enoxynaphthalene
CID 174790954
1-anthracen-1-ylperoxyanthracene
CID 87977353
prop-2-enyl anthracene-1-sulfonate
CID 122611313
CID 122611771
CID 122611771
1-nonoxyanthracene
CID 86193569
1-methoxy-2,3-bis(prop-2-enoxy)benzene
CID 11160335
anthracen-1-yl formate
CID 22404669
1-prop-2-enyltetracene
CID 162689403
1-(3-phenylsulfanylpropoxy)anthracene
CID 158373238
magnesium;anthracen-1-yl ethenesulfonate;hydride
CID 174836320
2,3-bis(prop-2-enoxy)benzonitrile
CID 118571042

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxyanthracene?
The IUPAC name of 1-prop-2-enoxyanthracene (CID 141089148) is 1-prop-2-enoxyanthracene.
What is the SMILES notation for 1-prop-2-enoxyanthracene?
The canonical SMILES for 1-prop-2-enoxyanthracene is C=CCOc1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-prop-2-enoxyanthracene?
The InChIKey is FPUOMAUDWXVJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O/c1-2-10-18-17-9-5-8-15-11-13-6-3-4-7-14(13)12-16(15)17/h2-9,11-12H,1,10H2.
What are the key properties of 1-prop-2-enoxyanthracene?
1-prop-2-enoxyanthracene has a molecular weight of 234.30 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxyanthracene is sourced from PubChem (CID 141089148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).