1-ethylanthracene;formic acid

C17H16O2 — CID 175485335

IUPAC1-ethylanthracene;formic acid
SMILESCCc1cccc2cc3ccccc3cc12.O=CO
InChIInChI=1S/C16H14.CH2O2/c1-2-12-8-5-9-15-10-13-6-3-4-7-14(13)11-16(12)15;2-1-3/h3-11H,2H2,1H3;1H,(H,2,3)
InChIKeyVRDZQJVPTNYHOX-UHFFFAOYSA-N
MW252.31 g/mol
LogP4.26
Rot. Bonds1

About 1-ethylanthracene;formic acid

1-ethylanthracene;formic acid (PubChem CID 175485335) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-ethylanthracene;formic acid.

Molecular Properties

Compound Name1-ethylanthracene;formic acid
PubChem CID175485335
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1-ethylanthracene;formic acid
SMILESCCc1cccc2cc3ccccc3cc12.O=CO
InChIInChI=1S/C16H14.CH2O2/c1-2-12-8-5-9-15-10-13-6-3-4-7-14(13)11-16(12)15;2-1-3/h3-11H,2H2,1H3;1H,(H,2,3)
InChIKeyVRDZQJVPTNYHOX-UHFFFAOYSA-N
XLogP4.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

anthracen-1-ylmethyl formate
CID 54364674
CID 173167056
CID 173167056
1-ethyl-7-(trifluoromethyl)anthracene
CID 151657359
azane;1-ethylnaphthalene
CID 19048185
2-tetracen-1-ylacetamide
CID 139927285
4-ethylanthracen-9-amine
CID 23131445
anthracen-1-ylmethyl(ethoxy)phosphinic acid
CID 141159186
1-(chloromethyl)anthracene
CID 18004230
anthracen-1-ylmethanolate
CID 57358748
1,2-diethylanthracene
CID 19372429
dihydroxy(oxo)phosphanium;1-icosylanthracene
CID 87504793
sodium;1-ethylnaphthalene;hydride
CID 174300793

Frequently Asked Questions

What is the IUPAC name of 1-ethylanthracene;formic acid?
The IUPAC name of 1-ethylanthracene;formic acid (CID 175485335) is 1-ethylanthracene;formic acid.
What is the SMILES notation for 1-ethylanthracene;formic acid?
The canonical SMILES for 1-ethylanthracene;formic acid is CCc1cccc2cc3ccccc3cc12.O=CO.
What is the InChIKey of 1-ethylanthracene;formic acid?
The InChIKey is VRDZQJVPTNYHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14.CH2O2/c1-2-12-8-5-9-15-10-13-6-3-4-7-14(13)11-16(12)15;2-1-3/h3-11H,2H2,1H3;1H,(H,2,3).
What are the key properties of 1-ethylanthracene;formic acid?
1-ethylanthracene;formic acid has a molecular weight of 252.31 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylanthracene;formic acid is sourced from PubChem (CID 175485335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).