ethane;naphthalene-2-carboxylic acid;propane

C16H22O2 — CID 143443534

IUPACethane;naphthalene-2-carboxylic acid;propane
SMILESCC.CCC.O=C(O)c1ccc2ccccc2c1
InChIInChI=1S/C11H8O2.C3H8.C2H6/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-3-2;1-2/h1-7H,(H,12,13);3H2,1-2H3;1-2H3
InChIKeyZETBMPVGJIQLAN-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.98
Rot. Bonds1

About ethane;naphthalene-2-carboxylic acid;propane

ethane;naphthalene-2-carboxylic acid;propane (PubChem CID 143443534) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is ethane;naphthalene-2-carboxylic acid;propane.

Molecular Properties

Compound Nameethane;naphthalene-2-carboxylic acid;propane
PubChem CID143443534
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Nameethane;naphthalene-2-carboxylic acid;propane
SMILESCC.CCC.O=C(O)c1ccc2ccccc2c1
InChIInChI=1S/C11H8O2.C3H8.C2H6/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-3-2;1-2/h1-7H,(H,12,13);3H2,1-2H3;1-2H3
InChIKeyZETBMPVGJIQLAN-UHFFFAOYSA-N
XLogP4.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;naphthalene-2-carboxylic acid;propane?
The IUPAC name of ethane;naphthalene-2-carboxylic acid;propane (CID 143443534) is ethane;naphthalene-2-carboxylic acid;propane.
What is the SMILES notation for ethane;naphthalene-2-carboxylic acid;propane?
The canonical SMILES for ethane;naphthalene-2-carboxylic acid;propane is CC.CCC.O=C(O)c1ccc2ccccc2c1.
What is the InChIKey of ethane;naphthalene-2-carboxylic acid;propane?
The InChIKey is ZETBMPVGJIQLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2.C3H8.C2H6/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-3-2;1-2/h1-7H,(H,12,13);3H2,1-2H3;1-2H3.
What are the key properties of ethane;naphthalene-2-carboxylic acid;propane?
ethane;naphthalene-2-carboxylic acid;propane has a molecular weight of 246.35 g/mol, XLogP of 4.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;naphthalene-2-carboxylic acid;propane is sourced from PubChem (CID 143443534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).