ethane;methyl naphthalene-2-carboxylate

C14H16O2 — CID 143895262

IUPACethane;methyl naphthalene-2-carboxylate
SMILESCC.COC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C12H10O2.C2H6/c1-14-12(13)11-7-6-9-4-2-3-5-10(9)8-11;1-2/h2-8H,1H3;1-2H3
InChIKeySINOCJHZDQTUDM-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.65
Rot. Bonds1

About ethane;methyl naphthalene-2-carboxylate

ethane;methyl naphthalene-2-carboxylate (PubChem CID 143895262) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethane;methyl naphthalene-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl naphthalene-2-carboxylate
PubChem CID143895262
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Nameethane;methyl naphthalene-2-carboxylate
SMILESCC.COC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C12H10O2.C2H6/c1-14-12(13)11-7-6-9-4-2-3-5-10(9)8-11;1-2/h2-8H,1H3;1-2H3
InChIKeySINOCJHZDQTUDM-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methoxycarbonylphenyl) naphthalene-2-carboxylate
CID 7924245
ethane;3-methoxycarbonylbenzoic acid;7-methoxycarbonylnaphthalene-2-carboxylic acid
CID 144908401
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
methyl 2-naphthalen-2-yl-2-oxoacetate
CID 3726008
potassium 6-methoxycarbonylnaphthalene-2-carboxylate
CID 146050692
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
methyl 4-(N-naphthalen-2-ylanilino)benzoate
CID 165349713
methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate
CID 11573081
propanoyl naphthalene-2-carboxylate
CID 118192395
2-methoxy-1-naphthalen-2-ylpropan-1-one
CID 79616176
bis(2-methoxycarbonylphenyl) naphthalene-2,6-dicarboxylate
CID 139985709
bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate
CID 139985700

Frequently Asked Questions

What is the IUPAC name of ethane;methyl naphthalene-2-carboxylate?
The IUPAC name of ethane;methyl naphthalene-2-carboxylate (CID 143895262) is ethane;methyl naphthalene-2-carboxylate.
What is the SMILES notation for ethane;methyl naphthalene-2-carboxylate?
The canonical SMILES for ethane;methyl naphthalene-2-carboxylate is CC.COC(=O)c1ccc2ccccc2c1.
What is the InChIKey of ethane;methyl naphthalene-2-carboxylate?
The InChIKey is SINOCJHZDQTUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2.C2H6/c1-14-12(13)11-7-6-9-4-2-3-5-10(9)8-11;1-2/h2-8H,1H3;1-2H3.
What are the key properties of ethane;methyl naphthalene-2-carboxylate?
ethane;methyl naphthalene-2-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl naphthalene-2-carboxylate is sourced from PubChem (CID 143895262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).