2-chloro-6-propoxynaphthalene

C13H13ClO — CID 125116367

IUPAC2-chloro-6-propoxynaphthalene
SMILESCCCOc1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C13H13ClO/c1-2-7-15-13-6-4-10-8-12(14)5-3-11(10)9-13/h3-6,8-9H,2,7H2,1H3
InChIKeyODZBELZAESABMV-UHFFFAOYSA-N
MW220.70 g/mol
LogP4.28
Rot. Bonds3

About 2-chloro-6-propoxynaphthalene

2-chloro-6-propoxynaphthalene (PubChem CID 125116367) has the molecular formula C13H13ClO and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-chloro-6-propoxynaphthalene.

Molecular Properties

Compound Name2-chloro-6-propoxynaphthalene
PubChem CID125116367
Molecular FormulaC13H13ClO
Molecular Weight220.70 g/mol
Exact Mass220.07
IUPAC Name2-chloro-6-propoxynaphthalene
SMILESCCCOc1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C13H13ClO/c1-2-7-15-13-6-4-10-8-12(14)5-3-11(10)9-13/h3-6,8-9H,2,7H2,1H3
InChIKeyODZBELZAESABMV-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-6-propoxynaphthalene
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2-chloro-6-phenylmethoxynaphthalene
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N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
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3-chloro-6-propoxy-10-propylacridin-9-one;propane
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4-chloro-N-[2-(4-propoxyphenoxy)ethyl]aniline
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-propoxynaphthalene?
The IUPAC name of 2-chloro-6-propoxynaphthalene (CID 125116367) is 2-chloro-6-propoxynaphthalene.
What is the SMILES notation for 2-chloro-6-propoxynaphthalene?
The canonical SMILES for 2-chloro-6-propoxynaphthalene is CCCOc1ccc2cc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-6-propoxynaphthalene?
The InChIKey is ODZBELZAESABMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO/c1-2-7-15-13-6-4-10-8-12(14)5-3-11(10)9-13/h3-6,8-9H,2,7H2,1H3.
What are the key properties of 2-chloro-6-propoxynaphthalene?
2-chloro-6-propoxynaphthalene has a molecular weight of 220.70 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-propoxynaphthalene is sourced from PubChem (CID 125116367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).