1,2,3,4-tetrahydronaphthalene-2,7-dicarbonyl chloride

C12H10Cl2O2 — CID 91735706

IUPAC1,2,3,4-tetrahydronaphthalene-2,7-dicarbonyl chloride
SMILESO=C(Cl)c1ccc2c(c1)CC(C(=O)Cl)CC2
InChIInChI=1S/C12H10Cl2O2/c13-11(15)8-3-1-7-2-4-9(12(14)16)6-10(7)5-8/h1,3,5,9H,2,4,6H2
InChIKeyBVZFSOCAYANTTP-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.94
Rot. Bonds2

About 1,2,3,4-tetrahydronaphthalene-2,7-dicarbonyl chloride

1,2,3,4-tetrahydronaphthalene-2,7-dicarbonyl chloride (PubChem CID 91735706) has the molecular formula C12H10Cl2O2 and a molecular weight of 257.12 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalene-2,7-dicarbonyl chloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalene-2,7-dicarbonyl chloride
PubChem CID91735706
Molecular FormulaC12H10Cl2O2
Molecular Weight257.12 g/mol
Exact Mass256.01
IUPAC Name1,2,3,4-tetrahydronaphthalene-2,7-dicarbonyl chloride
SMILESO=C(Cl)c1ccc2c(c1)CC(C(=O)Cl)CC2
InChIInChI=1S/C12H10Cl2O2/c13-11(15)8-3-1-7-2-4-9(12(14)16)6-10(7)5-8/h1,3,5,9H,2,4,6H2
InChIKeyBVZFSOCAYANTTP-UHFFFAOYSA-N
XLogP2.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 71383857
ethane;1-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
CID 142131877
dipropan-2-yl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate
CID 139896320
(3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65409160
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
(3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65408772
6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 23359820
(3-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126417
(4-chloro-3-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 79697699
1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone
CID 107126876
5-(4-aminobenzoyl)-2,3-dihydro-1H-indene-2-carboxylic acid
CID 23459753

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalene-2,7-dicarbonyl chloride?
The IUPAC name of 1,2,3,4-tetrahydronaphthalene-2,7-dicarbonyl chloride (CID 91735706) is 1,2,3,4-tetrahydronaphthalene-2,7-dicarbonyl chloride.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalene-2,7-dicarbonyl chloride?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalene-2,7-dicarbonyl chloride is O=C(Cl)c1ccc2c(c1)CC(C(=O)Cl)CC2.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalene-2,7-dicarbonyl chloride?
The InChIKey is BVZFSOCAYANTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2O2/c13-11(15)8-3-1-7-2-4-9(12(14)16)6-10(7)5-8/h1,3,5,9H,2,4,6H2.
What are the key properties of 1,2,3,4-tetrahydronaphthalene-2,7-dicarbonyl chloride?
1,2,3,4-tetrahydronaphthalene-2,7-dicarbonyl chloride has a molecular weight of 257.12 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalene-2,7-dicarbonyl chloride is sourced from PubChem (CID 91735706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).