ethyl 2-benzhydryloxynaphthalene-1-carboxylate

C26H22O3 — CID 134961368

IUPACethyl 2-benzhydryloxynaphthalene-1-carboxylate
SMILESCCOC(=O)c1c(OC(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C26H22O3/c1-2-28-26(27)24-22-16-10-9-11-19(22)17-18-23(24)29-25(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-18,25H,2H2,1H3
InChIKeyABNQTOPATNOOBZ-UHFFFAOYSA-N
MW382.46 g/mol
LogP6.18
Rot. Bonds6

About ethyl 2-benzhydryloxynaphthalene-1-carboxylate

ethyl 2-benzhydryloxynaphthalene-1-carboxylate (PubChem CID 134961368) has the molecular formula C26H22O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is ethyl 2-benzhydryloxynaphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzhydryloxynaphthalene-1-carboxylate
PubChem CID134961368
Molecular FormulaC26H22O3
Molecular Weight382.46 g/mol
Exact Mass382.16
IUPAC Nameethyl 2-benzhydryloxynaphthalene-1-carboxylate
SMILESCCOC(=O)c1c(OC(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C26H22O3/c1-2-28-26(27)24-22-16-10-9-11-19(22)17-18-23(24)29-25(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-18,25H,2H2,1H3
InChIKeyABNQTOPATNOOBZ-UHFFFAOYSA-N
XLogP6.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-naphthalen-1-ylazulene-1,3-dicarboxylate
CID 10834680
tetraethyl octacyclo[16.16.0.02,15.05,14.06,11.019,32.022,31.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene-3,4,20,21-tetracarboxylate
CID 134962471
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl 4-(3-benzhydryloxy-3-oxoprop-1-en-2-yl)-2,3,5,6-tetrafluorobenzoate
CID 10321897
3-ethoxycarbonyl-1,4-di(propan-2-yloxy)naphthalene-2-carboxylic acid
CID 68689892
diethyl 2-phenylisoquinolin-2-ium-3,4-dicarboxylate
CID 134913777
ethyl [naphthalen-2-yl(phenyl)methyl] carbonate
CID 67900296
ethyl 11-oxobenzo[b]fluorene-10-carboxylate
CID 10946575
ethyl 2-(7-benzhydryloxy-1H-indol-2-yl)acetate
CID 10620117
triethyl pyrene-1,2,3-tricarboxylate
CID 10093467
diethyl 4-chloroquinoline-2,3-dicarboxylate
CID 169101735
ethyl acetate;phenanthrene
CID 160726264

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzhydryloxynaphthalene-1-carboxylate?
The IUPAC name of ethyl 2-benzhydryloxynaphthalene-1-carboxylate (CID 134961368) is ethyl 2-benzhydryloxynaphthalene-1-carboxylate.
What is the SMILES notation for ethyl 2-benzhydryloxynaphthalene-1-carboxylate?
The canonical SMILES for ethyl 2-benzhydryloxynaphthalene-1-carboxylate is CCOC(=O)c1c(OC(c2ccccc2)c2ccccc2)ccc2ccccc12.
What is the InChIKey of ethyl 2-benzhydryloxynaphthalene-1-carboxylate?
The InChIKey is ABNQTOPATNOOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O3/c1-2-28-26(27)24-22-16-10-9-11-19(22)17-18-23(24)29-25(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-18,25H,2H2,1H3.
What are the key properties of ethyl 2-benzhydryloxynaphthalene-1-carboxylate?
ethyl 2-benzhydryloxynaphthalene-1-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzhydryloxynaphthalene-1-carboxylate is sourced from PubChem (CID 134961368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).