2,4-dichloro-1-propoxynaphthalene

C13H12Cl2O — CID 70099872

IUPAC2,4-dichloro-1-propoxynaphthalene
SMILESCCCOc1c(Cl)cc(Cl)c2ccccc12
InChIInChI=1S/C13H12Cl2O/c1-2-7-16-13-10-6-4-3-5-9(10)11(14)8-12(13)15/h3-6,8H,2,7H2,1H3
InChIKeyFQZWPWYUJJIHKG-UHFFFAOYSA-N
MW255.14 g/mol
LogP4.94
Rot. Bonds3

About 2,4-dichloro-1-propoxynaphthalene

2,4-dichloro-1-propoxynaphthalene (PubChem CID 70099872) has the molecular formula C13H12Cl2O and a molecular weight of 255.14 g/mol. Its IUPAC name is 2,4-dichloro-1-propoxynaphthalene.

Molecular Properties

Compound Name2,4-dichloro-1-propoxynaphthalene
PubChem CID70099872
Molecular FormulaC13H12Cl2O
Molecular Weight255.14 g/mol
Exact Mass254.03
IUPAC Name2,4-dichloro-1-propoxynaphthalene
SMILESCCCOc1c(Cl)cc(Cl)c2ccccc12
InChIInChI=1S/C13H12Cl2O/c1-2-7-16-13-10-6-4-3-5-9(10)11(14)8-12(13)15/h3-6,8H,2,7H2,1H3
InChIKeyFQZWPWYUJJIHKG-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,4-dichloro-1-propoxynaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-2-propoxyphenol
CID 82267104
3-chloro-2-propoxyaniline
CID 14618927
9-butoxy-1,5-dichloroanthracene
CID 11723453
2-chloro-9,10-dioctoxyanthracene
CID 135239618
2-chloro-9,10-diheptoxyanthracene
CID 135239688
2-chloro-9,10-di(tetradecoxy)anthracene
CID 139930208
2-chloro-9,10-di(pentadecoxy)anthracene
CID 139930219
9,10-dibutoxyanthracene;9,10-dipentoxyanthracene
CID 159695719
9,10-dioctoxyanthracene
CID 21304201
3,5-dichloro-N-ethyl-N-phenyl-4-propoxybenzamide
CID 18848298
1,5-dichloro-3-ethoxy-2-propoxybenzene
CID 125116590
2-butoxy-1,3,4,5-tetrachlorobenzene
CID 91736828

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-propoxynaphthalene?
The IUPAC name of 2,4-dichloro-1-propoxynaphthalene (CID 70099872) is 2,4-dichloro-1-propoxynaphthalene.
What is the SMILES notation for 2,4-dichloro-1-propoxynaphthalene?
The canonical SMILES for 2,4-dichloro-1-propoxynaphthalene is CCCOc1c(Cl)cc(Cl)c2ccccc12.
What is the InChIKey of 2,4-dichloro-1-propoxynaphthalene?
The InChIKey is FQZWPWYUJJIHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2O/c1-2-7-16-13-10-6-4-3-5-9(10)11(14)8-12(13)15/h3-6,8H,2,7H2,1H3.
What are the key properties of 2,4-dichloro-1-propoxynaphthalene?
2,4-dichloro-1-propoxynaphthalene has a molecular weight of 255.14 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-propoxynaphthalene is sourced from PubChem (CID 70099872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).