1-chloro-4-propan-2-yloxynaphthalene

C13H13ClO — CID 58905353

IUPAC1-chloro-4-propan-2-yloxynaphthalene
SMILESCC(C)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C13H13ClO/c1-9(2)15-13-8-7-12(14)10-5-3-4-6-11(10)13/h3-9H,1-2H3
InChIKeyWTXKUGMFRIJIJS-UHFFFAOYSA-N
MW220.70 g/mol
LogP4.28
Rot. Bonds2

About 1-chloro-4-propan-2-yloxynaphthalene

1-chloro-4-propan-2-yloxynaphthalene (PubChem CID 58905353) has the molecular formula C13H13ClO and a molecular weight of 220.70 g/mol. Its IUPAC name is 1-chloro-4-propan-2-yloxynaphthalene.

Molecular Properties

Compound Name1-chloro-4-propan-2-yloxynaphthalene
PubChem CID58905353
Molecular FormulaC13H13ClO
Molecular Weight220.70 g/mol
Exact Mass220.07
IUPAC Name1-chloro-4-propan-2-yloxynaphthalene
SMILESCC(C)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C13H13ClO/c1-9(2)15-13-8-7-12(14)10-5-3-4-6-11(10)13/h3-9H,1-2H3
InChIKeyWTXKUGMFRIJIJS-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-propan-2-yloxynaphthalene?
The IUPAC name of 1-chloro-4-propan-2-yloxynaphthalene (CID 58905353) is 1-chloro-4-propan-2-yloxynaphthalene.
What is the SMILES notation for 1-chloro-4-propan-2-yloxynaphthalene?
The canonical SMILES for 1-chloro-4-propan-2-yloxynaphthalene is CC(C)Oc1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-4-propan-2-yloxynaphthalene?
The InChIKey is WTXKUGMFRIJIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO/c1-9(2)15-13-8-7-12(14)10-5-3-4-6-11(10)13/h3-9H,1-2H3.
What are the key properties of 1-chloro-4-propan-2-yloxynaphthalene?
1-chloro-4-propan-2-yloxynaphthalene has a molecular weight of 220.70 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-propan-2-yloxynaphthalene is sourced from PubChem (CID 58905353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).