phenyl 4-methylnaphthalene-1-carboxylate

C18H14O2 — CID 57197049

IUPACphenyl 4-methylnaphthalene-1-carboxylate
SMILESCc1ccc(C(=O)Oc2ccccc2)c2ccccc12
InChIInChI=1S/C18H14O2/c1-13-11-12-17(16-10-6-5-9-15(13)16)18(19)20-14-7-3-2-4-8-14/h2-12H,1H3
InChIKeySAPRJUXENJKRRZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.37
Rot. Bonds2

About phenyl 4-methylnaphthalene-1-carboxylate

phenyl 4-methylnaphthalene-1-carboxylate (PubChem CID 57197049) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is phenyl 4-methylnaphthalene-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-methylnaphthalene-1-carboxylate
PubChem CID57197049
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Namephenyl 4-methylnaphthalene-1-carboxylate
SMILESCc1ccc(C(=O)Oc2ccccc2)c2ccccc12
InChIInChI=1S/C18H14O2/c1-13-11-12-17(16-10-6-5-9-15(13)16)18(19)20-14-7-3-2-4-8-14/h2-12H,1H3
InChIKeySAPRJUXENJKRRZ-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 2361
CID 2361
CID 60164
CID 60164
CID 11790
CID 11790
CID 9799417
CID 9799417
CID 6778
CID 6778
CID 69779
CID 69779
CID 76991
CID 76991
CID 77267
CID 77267
CID 67236
CID 67236
CID 66734
CID 66734
CID 16173
CID 16173
CID 75913
CID 75913

Frequently Asked Questions

What is the IUPAC name of phenyl 4-methylnaphthalene-1-carboxylate?
The IUPAC name of phenyl 4-methylnaphthalene-1-carboxylate (CID 57197049) is phenyl 4-methylnaphthalene-1-carboxylate.
What is the SMILES notation for phenyl 4-methylnaphthalene-1-carboxylate?
The canonical SMILES for phenyl 4-methylnaphthalene-1-carboxylate is Cc1ccc(C(=O)Oc2ccccc2)c2ccccc12.
What is the InChIKey of phenyl 4-methylnaphthalene-1-carboxylate?
The InChIKey is SAPRJUXENJKRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c1-13-11-12-17(16-10-6-5-9-15(13)16)18(19)20-14-7-3-2-4-8-14/h2-12H,1H3.
What are the key properties of phenyl 4-methylnaphthalene-1-carboxylate?
phenyl 4-methylnaphthalene-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-methylnaphthalene-1-carboxylate is sourced from PubChem (CID 57197049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).