naphthalen-2-yl 5-chloro-2-methoxybenzoate

C18H13ClO3 — CID 5036835

IUPACnaphthalen-2-yl 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C18H13ClO3/c1-21-17-9-7-14(19)11-16(17)18(20)22-15-8-6-12-4-2-3-5-13(12)10-15/h2-11H,1H3
InChIKeyHTDVZQZYEGBJPI-UHFFFAOYSA-N
MW312.75 g/mol
LogP4.72
Rot. Bonds3

About naphthalen-2-yl 5-chloro-2-methoxybenzoate

naphthalen-2-yl 5-chloro-2-methoxybenzoate (PubChem CID 5036835) has the molecular formula C18H13ClO3 and a molecular weight of 312.75 g/mol. Its IUPAC name is naphthalen-2-yl 5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Namenaphthalen-2-yl 5-chloro-2-methoxybenzoate
PubChem CID5036835
Molecular FormulaC18H13ClO3
Molecular Weight312.75 g/mol
Exact Mass312.06
IUPAC Namenaphthalen-2-yl 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C18H13ClO3/c1-21-17-9-7-14(19)11-16(17)18(20)22-15-8-6-12-4-2-3-5-13(12)10-15/h2-11H,1H3
InChIKeyHTDVZQZYEGBJPI-UHFFFAOYSA-N
XLogP4.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 54.72
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

(2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate
CID 7291387
5-chloro-2-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 43003624
(4-naphthalen-2-ylphenyl) 2-methoxybenzoate
CID 158131394
naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate
CID 58741740
naphthalen-2-yl 3,4,5-trimethoxybenzoate
CID 962053
naphthalen-2-yl 4-methoxybenzoate
CID 532400
(2-acetyl-5-methylphenyl) 5-chloro-2-methoxybenzoate
CID 50889272
4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide
CID 108797024
5-chloro-2-methoxybenzoate
CID 6933314
naphthalen-2-yl 5-bromo-2-chlorobenzoate
CID 7926818
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 16540331
[3,5-bis[(2-methoxy-5-phenylbenzoyl)oxy]phenyl] 2-methoxy-5-phenylbenzoate
CID 20721751

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 5-chloro-2-methoxybenzoate?
The IUPAC name of naphthalen-2-yl 5-chloro-2-methoxybenzoate (CID 5036835) is naphthalen-2-yl 5-chloro-2-methoxybenzoate.
What is the SMILES notation for naphthalen-2-yl 5-chloro-2-methoxybenzoate?
The canonical SMILES for naphthalen-2-yl 5-chloro-2-methoxybenzoate is COc1ccc(Cl)cc1C(=O)Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl 5-chloro-2-methoxybenzoate?
The InChIKey is HTDVZQZYEGBJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO3/c1-21-17-9-7-14(19)11-16(17)18(20)22-15-8-6-12-4-2-3-5-13(12)10-15/h2-11H,1H3.
What are the key properties of naphthalen-2-yl 5-chloro-2-methoxybenzoate?
naphthalen-2-yl 5-chloro-2-methoxybenzoate has a molecular weight of 312.75 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 5-chloro-2-methoxybenzoate is sourced from PubChem (CID 5036835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).