2-chloro-3-(2-chloroethyl)naphthalene-1-carbaldehyde

C13H10Cl2O — CID 25136411

IUPAC2-chloro-3-(2-chloroethyl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(Cl)c(CCCl)cc2ccccc12
InChIInChI=1S/C13H10Cl2O/c14-6-5-10-7-9-3-1-2-4-11(9)12(8-16)13(10)15/h1-4,7-8H,5-6H2
InChIKeyOMDVEDZDZKGHQA-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.09
Rot. Bonds3

About 2-chloro-3-(2-chloroethyl)naphthalene-1-carbaldehyde

2-chloro-3-(2-chloroethyl)naphthalene-1-carbaldehyde (PubChem CID 25136411) has the molecular formula C13H10Cl2O and a molecular weight of 253.13 g/mol. Its IUPAC name is 2-chloro-3-(2-chloroethyl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-chloro-3-(2-chloroethyl)naphthalene-1-carbaldehyde
PubChem CID25136411
Molecular FormulaC13H10Cl2O
Molecular Weight253.13 g/mol
Exact Mass252.01
IUPAC Name2-chloro-3-(2-chloroethyl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(Cl)c(CCCl)cc2ccccc12
InChIInChI=1S/C13H10Cl2O/c14-6-5-10-7-9-3-1-2-4-11(9)12(8-16)13(10)15/h1-4,7-8H,5-6H2
InChIKeyOMDVEDZDZKGHQA-UHFFFAOYSA-N
XLogP4.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-(hydroxymethyl)naphthalene-1-carbaldehyde
CID 10584242
2-chloronaphthalene-1-carbaldehyde
CID 19065818
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde
CID 89391837
2,6-dichloro-3-ethylbenzaldehyde
CID 86691282
4-propylnaphthalene-2-carbaldehyde
CID 54544102
2,3-dichloroquinoline-4-carbaldehyde
CID 174397370
2-hexadecylnaphthalene-1-carbaldehyde
CID 141208229
3-hydroxy-2-methylnaphthalene-1-carbaldehyde
CID 22259589
azane;1-formylnaphthalene-2-sulfonic acid
CID 173322674
3-fluoro-2-methylnaphthalene-1-carbaldehyde
CID 141170749
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-chloroethyl)naphthalene-1-carbaldehyde?
The IUPAC name of 2-chloro-3-(2-chloroethyl)naphthalene-1-carbaldehyde (CID 25136411) is 2-chloro-3-(2-chloroethyl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-chloro-3-(2-chloroethyl)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-chloro-3-(2-chloroethyl)naphthalene-1-carbaldehyde is O=Cc1c(Cl)c(CCCl)cc2ccccc12.
What is the InChIKey of 2-chloro-3-(2-chloroethyl)naphthalene-1-carbaldehyde?
The InChIKey is OMDVEDZDZKGHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O/c14-6-5-10-7-9-3-1-2-4-11(9)12(8-16)13(10)15/h1-4,7-8H,5-6H2.
What are the key properties of 2-chloro-3-(2-chloroethyl)naphthalene-1-carbaldehyde?
2-chloro-3-(2-chloroethyl)naphthalene-1-carbaldehyde has a molecular weight of 253.13 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-chloroethyl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 25136411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).