5-(6-carbonochloridoyl-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carbonyl chloride

C26H20Cl2O4 — CID 101085823

IUPAC5-(6-carbonochloridoyl-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carbonyl chloride
SMILESCCOc1ccc2cc(C(=O)Cl)ccc2c1-c1c(OCC)ccc2cc(C(=O)Cl)ccc12
InChIInChI=1S/C26H20Cl2O4/c1-3-31-21-11-7-15-13-17(25(27)29)5-9-19(15)23(21)24-20-10-6-18(26(28)30)14-16(20)8-12-22(24)32-4-2/h5-14H,3-4H2,1-2H3
InChIKeyWMDMJBDMNFLMCT-UHFFFAOYSA-N
MW467.35 g/mol
LogP7.22
Rot. Bonds7

About 5-(6-carbonochloridoyl-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carbonyl chloride

5-(6-carbonochloridoyl-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carbonyl chloride (PubChem CID 101085823) has the molecular formula C26H20Cl2O4 and a molecular weight of 467.35 g/mol. Its IUPAC name is 5-(6-carbonochloridoyl-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carbonyl chloride.

Molecular Properties

Compound Name5-(6-carbonochloridoyl-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carbonyl chloride
PubChem CID101085823
Molecular FormulaC26H20Cl2O4
Molecular Weight467.35 g/mol
Exact Mass466.07
IUPAC Name5-(6-carbonochloridoyl-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carbonyl chloride
SMILESCCOc1ccc2cc(C(=O)Cl)ccc2c1-c1c(OCC)ccc2cc(C(=O)Cl)ccc12
InChIInChI=1S/C26H20Cl2O4/c1-3-31-21-11-7-15-13-17(25(27)29)5-9-19(15)23(21)24-20-10-6-18(26(28)30)14-16(20)8-12-22(24)32-4-2/h5-14H,3-4H2,1-2H3
InChIKeyWMDMJBDMNFLMCT-UHFFFAOYSA-N
XLogP7.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.35
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid
CID 162348534
ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 166059456
4-(4,6-dicarboxy-2-ethoxynaphthalen-1-yl)-3-ethoxynaphthalene-1,7-dicarboxylic acid
CID 102048418
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoyl chloride
CID 46779765
bis(3,4-diethoxyphenyl)methanone
CID 135325793
2-ethoxy-6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
CID 139863148
4-[(4-ethoxy-2,3,5,6-tetrafluorophenyl)methoxy]-3-methoxybenzoyl chloride
CID 18346503
2-ethoxy-1-[2-ethoxy-6-[6-ethoxy-5-(2-ethoxynaphthalen-1-yl)naphthalen-2-yl]naphthalen-1-yl]-6-iodonaphthalene
CID 10974840
bis(carbonochloridic acid);4-[1-[2-(4-carbonochloridoylphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzoyl chloride
CID 23064662
5-(difluoromethoxy)naphthalene-2-carbonyl chloride
CID 118830237
(4-ethoxy-2-fluorophenyl) 5,6-difluoronaphthalene-2-carboxylate
CID 139854348
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801

Frequently Asked Questions

What is the IUPAC name of 5-(6-carbonochloridoyl-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carbonyl chloride?
The IUPAC name of 5-(6-carbonochloridoyl-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carbonyl chloride (CID 101085823) is 5-(6-carbonochloridoyl-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carbonyl chloride.
What is the SMILES notation for 5-(6-carbonochloridoyl-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carbonyl chloride?
The canonical SMILES for 5-(6-carbonochloridoyl-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carbonyl chloride is CCOc1ccc2cc(C(=O)Cl)ccc2c1-c1c(OCC)ccc2cc(C(=O)Cl)ccc12.
What is the InChIKey of 5-(6-carbonochloridoyl-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carbonyl chloride?
The InChIKey is WMDMJBDMNFLMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2O4/c1-3-31-21-11-7-15-13-17(25(27)29)5-9-19(15)23(21)24-20-10-6-18(26(28)30)14-16(20)8-12-22(24)32-4-2/h5-14H,3-4H2,1-2H3.
What are the key properties of 5-(6-carbonochloridoyl-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carbonyl chloride?
5-(6-carbonochloridoyl-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carbonyl chloride has a molecular weight of 467.35 g/mol, XLogP of 7.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-carbonochloridoyl-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carbonyl chloride is sourced from PubChem (CID 101085823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).