(2-chloro-4-formylphenyl) naphthalene-2-carboxylate

C18H11ClO3 — CID 804637

IUPAC(2-chloro-4-formylphenyl) naphthalene-2-carboxylate
SMILESO=Cc1ccc(OC(=O)c2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C18H11ClO3/c19-16-9-12(11-20)5-8-17(16)22-18(21)15-7-6-13-3-1-2-4-14(13)10-15/h1-11H
InChIKeyCDRJGVQRPLCNFO-UHFFFAOYSA-N
MW310.74 g/mol
LogP4.52
Rot. Bonds3

About (2-chloro-4-formylphenyl) naphthalene-2-carboxylate

(2-chloro-4-formylphenyl) naphthalene-2-carboxylate (PubChem CID 804637) has the molecular formula C18H11ClO3 and a molecular weight of 310.74 g/mol. Its IUPAC name is (2-chloro-4-formylphenyl) naphthalene-2-carboxylate.

Molecular Properties

Compound Name(2-chloro-4-formylphenyl) naphthalene-2-carboxylate
PubChem CID804637
Molecular FormulaC18H11ClO3
Molecular Weight310.74 g/mol
Exact Mass310.04
IUPAC Name(2-chloro-4-formylphenyl) naphthalene-2-carboxylate
SMILESO=Cc1ccc(OC(=O)c2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C18H11ClO3/c19-16-9-12(11-20)5-8-17(16)22-18(21)15-7-6-13-3-1-2-4-14(13)10-15/h1-11H
InChIKeyCDRJGVQRPLCNFO-UHFFFAOYSA-N
XLogP4.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dichlorophenyl) naphthalene-2-carboxylate
CID 7959552
anthracen-1-yl naphthalene-2-carboxylate
CID 151830595
[4-[(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate
CID 3837309
(2-bromo-4-formylphenyl) 4-chlorobenzoate
CID 4766641
(1-iodonaphthalen-2-yl) 3,4-dichlorobenzoate
CID 2725721
(2,4-diformylphenyl) 4-formylbenzoate
CID 130308399
(4-methoxyphenyl) 3-chloro-4-(4-methoxybenzoyl)oxybenzoate
CID 118425827
(2-acetylphenyl) naphthalene-2-carboxylate
CID 67194718
methyl 4-benzoyloxy-3-chlorobenzoate
CID 47098649
[1-[2-(anthracene-2-carbonyloxy)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl] anthracene-2-carboxylate
CID 177456858
6-benzoylnaphthalene-2-carbaldehyde
CID 160521224
(4-formyl-2-methoxyphenyl) 6-(2-fluoroprop-2-enoyloxy)naphthalene-2-carboxylate
CID 134189637

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-formylphenyl) naphthalene-2-carboxylate?
The IUPAC name of (2-chloro-4-formylphenyl) naphthalene-2-carboxylate (CID 804637) is (2-chloro-4-formylphenyl) naphthalene-2-carboxylate.
What is the SMILES notation for (2-chloro-4-formylphenyl) naphthalene-2-carboxylate?
The canonical SMILES for (2-chloro-4-formylphenyl) naphthalene-2-carboxylate is O=Cc1ccc(OC(=O)c2ccc3ccccc3c2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-formylphenyl) naphthalene-2-carboxylate?
The InChIKey is CDRJGVQRPLCNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClO3/c19-16-9-12(11-20)5-8-17(16)22-18(21)15-7-6-13-3-1-2-4-14(13)10-15/h1-11H.
What are the key properties of (2-chloro-4-formylphenyl) naphthalene-2-carboxylate?
(2-chloro-4-formylphenyl) naphthalene-2-carboxylate has a molecular weight of 310.74 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-formylphenyl) naphthalene-2-carboxylate is sourced from PubChem (CID 804637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).