3,4-dihydroanthracen-9-ylmethyl formate;propane

C19H22O2 — CID 145095656

IUPAC3,4-dihydroanthracen-9-ylmethyl formate;propane
SMILESCCC.O=COCc1c2c(cc3ccccc13)CCC=C2
InChIInChI=1S/C16H14O2.C3H8/c17-11-18-10-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)16;1-3-2/h1,3-5,7-9,11H,2,6,10H2;3H2,1-2H3
InChIKeyKNSNEGFMLJWTQO-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.89
Rot. Bonds3

About 3,4-dihydroanthracen-9-ylmethyl formate;propane

3,4-dihydroanthracen-9-ylmethyl formate;propane (PubChem CID 145095656) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3,4-dihydroanthracen-9-ylmethyl formate;propane.

Molecular Properties

Compound Name3,4-dihydroanthracen-9-ylmethyl formate;propane
PubChem CID145095656
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name3,4-dihydroanthracen-9-ylmethyl formate;propane
SMILESCCC.O=COCc1c2c(cc3ccccc13)CCC=C2
InChIInChI=1S/C16H14O2.C3H8/c17-11-18-10-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)16;1-3-2/h1,3-5,7-9,11H,2,6,10H2;3H2,1-2H3
InChIKeyKNSNEGFMLJWTQO-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroanthracen-9-ylmethyl formate;propane?
The IUPAC name of 3,4-dihydroanthracen-9-ylmethyl formate;propane (CID 145095656) is 3,4-dihydroanthracen-9-ylmethyl formate;propane.
What is the SMILES notation for 3,4-dihydroanthracen-9-ylmethyl formate;propane?
The canonical SMILES for 3,4-dihydroanthracen-9-ylmethyl formate;propane is CCC.O=COCc1c2c(cc3ccccc13)CCC=C2.
What is the InChIKey of 3,4-dihydroanthracen-9-ylmethyl formate;propane?
The InChIKey is KNSNEGFMLJWTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2.C3H8/c17-11-18-10-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)16;1-3-2/h1,3-5,7-9,11H,2,6,10H2;3H2,1-2H3.
What are the key properties of 3,4-dihydroanthracen-9-ylmethyl formate;propane?
3,4-dihydroanthracen-9-ylmethyl formate;propane has a molecular weight of 282.38 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroanthracen-9-ylmethyl formate;propane is sourced from PubChem (CID 145095656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).