methyl 4-ethenyl-8-phenylmethoxynaphthalene-2-carboxylate

C21H18O3 — CID 10041568

IUPACmethyl 4-ethenyl-8-phenylmethoxynaphthalene-2-carboxylate
SMILESC=Cc1cc(C(=O)OC)cc2c(OCc3ccccc3)cccc12
InChIInChI=1S/C21H18O3/c1-3-16-12-17(21(22)23-2)13-19-18(16)10-7-11-20(19)24-14-15-8-5-4-6-9-15/h3-13H,1,14H2,2H3
InChIKeyZICDSMIOTXWLOF-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.85
Rot. Bonds5

About methyl 4-ethenyl-8-phenylmethoxynaphthalene-2-carboxylate

methyl 4-ethenyl-8-phenylmethoxynaphthalene-2-carboxylate (PubChem CID 10041568) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is methyl 4-ethenyl-8-phenylmethoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethenyl-8-phenylmethoxynaphthalene-2-carboxylate
PubChem CID10041568
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Namemethyl 4-ethenyl-8-phenylmethoxynaphthalene-2-carboxylate
SMILESC=Cc1cc(C(=O)OC)cc2c(OCc3ccccc3)cccc12
InChIInChI=1S/C21H18O3/c1-3-16-12-17(21(22)23-2)13-19-18(16)10-7-11-20(19)24-14-15-8-5-4-6-9-15/h3-13H,1,14H2,2H3
InChIKeyZICDSMIOTXWLOF-UHFFFAOYSA-N
XLogP4.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-acetyloxy-8-phenylmethoxynaphthalene-2-carboxylate
CID 10043459
3-O-benzyl 1-O-methyl 5-ethenyl-4-prop-2-enoxybenzene-1,3-dicarboxylate
CID 123907791
1-ethenyl-2-methoxy-3-phenylmethoxybenzene
CID 23251754
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate
CID 70346485
methyl 5-ethenyl-3-hydroxy-2-phenylmethoxybenzoate
CID 118992954
methyl 3,5-dibromo-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]benzoate
CID 18973794
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 3-[[2-(2-methylprop-1-enyl)phenoxy]methyl]benzoate
CID 10827780
methyl 8-bromo-4-methyl-7-phenylmethoxynaphthalene-2-carboxylate
CID 4059731
methyl 3-iodo-5-methoxy-4-phenylmethoxybenzoate
CID 91689901
methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate
CID 90391979

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethenyl-8-phenylmethoxynaphthalene-2-carboxylate?
The IUPAC name of methyl 4-ethenyl-8-phenylmethoxynaphthalene-2-carboxylate (CID 10041568) is methyl 4-ethenyl-8-phenylmethoxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 4-ethenyl-8-phenylmethoxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 4-ethenyl-8-phenylmethoxynaphthalene-2-carboxylate is C=Cc1cc(C(=O)OC)cc2c(OCc3ccccc3)cccc12.
What is the InChIKey of methyl 4-ethenyl-8-phenylmethoxynaphthalene-2-carboxylate?
The InChIKey is ZICDSMIOTXWLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-3-16-12-17(21(22)23-2)13-19-18(16)10-7-11-20(19)24-14-15-8-5-4-6-9-15/h3-13H,1,14H2,2H3.
What are the key properties of methyl 4-ethenyl-8-phenylmethoxynaphthalene-2-carboxylate?
methyl 4-ethenyl-8-phenylmethoxynaphthalene-2-carboxylate has a molecular weight of 318.37 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethenyl-8-phenylmethoxynaphthalene-2-carboxylate is sourced from PubChem (CID 10041568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).