naphthalen-2-yl 4-methoxybenzoate

C18H14O3 — CID 532400

IUPACnaphthalen-2-yl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H14O3/c1-20-16-9-7-14(8-10-16)18(19)21-17-11-6-13-4-2-3-5-15(13)12-17/h2-12H,1H3
InChIKeyKGXPCWNHOHGJSW-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.07
Rot. Bonds3

About naphthalen-2-yl 4-methoxybenzoate

naphthalen-2-yl 4-methoxybenzoate (PubChem CID 532400) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is naphthalen-2-yl 4-methoxybenzoate.

Molecular Properties

Compound Namenaphthalen-2-yl 4-methoxybenzoate
PubChem CID532400
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Namenaphthalen-2-yl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H14O3/c1-20-16-9-7-14(8-10-16)18(19)21-17-11-6-13-4-2-3-5-15(13)12-17/h2-12H,1H3
InChIKeyKGXPCWNHOHGJSW-UHFFFAOYSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7-methoxynaphthalen-2-yl) 4-acetylbenzoate
CID 58800516
(6-acetylnaphthalen-2-yl) 4-methoxybenzoate
CID 59109365
naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate
CID 58741740
naphthalen-2-yl 3,4,5-trimethoxybenzoate
CID 962053
bis(3-methoxyphenyl) benzene-1,4-dicarboxylate
CID 91738938
naphthalen-2-yl 4-butylbenzoate
CID 532284
[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 144750294
(3,4-dimethylphenyl) 4-methoxybenzoate
CID 4928836
[3-methyl-4-(naphthalen-2-yldiazenyl)phenyl] 4-methoxybenzoate
CID 101055785
naphthalen-2-yl 4-(acetamidomethyl)benzoate
CID 43030693
naphthalen-2-yl 4-hexoxybenzoate
CID 23011426
(3,4-difluorophenyl) 4-methoxybenzoate
CID 159231931

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 4-methoxybenzoate?
The IUPAC name of naphthalen-2-yl 4-methoxybenzoate (CID 532400) is naphthalen-2-yl 4-methoxybenzoate.
What is the SMILES notation for naphthalen-2-yl 4-methoxybenzoate?
The canonical SMILES for naphthalen-2-yl 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of naphthalen-2-yl 4-methoxybenzoate?
The InChIKey is KGXPCWNHOHGJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c1-20-16-9-7-14(8-10-16)18(19)21-17-11-6-13-4-2-3-5-15(13)12-17/h2-12H,1H3.
What are the key properties of naphthalen-2-yl 4-methoxybenzoate?
naphthalen-2-yl 4-methoxybenzoate has a molecular weight of 278.31 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 4-methoxybenzoate is sourced from PubChem (CID 532400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).