1-chloro-4-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene

C13H16Cl2O — CID 106931382

IUPAC1-chloro-4-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene
SMILESClCC(COCC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H16Cl2O/c14-7-12(9-16-8-10-1-2-10)11-3-5-13(15)6-4-11/h3-6,10,12H,1-2,7-9H2
InChIKeyHYKVUMUGOPMKPS-UHFFFAOYSA-N
MW259.18 g/mol
LogP4.09
Rot. Bonds6

About 1-chloro-4-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene

1-chloro-4-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene (PubChem CID 106931382) has the molecular formula C13H16Cl2O and a molecular weight of 259.18 g/mol. Its IUPAC name is 1-chloro-4-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene
PubChem CID106931382
Molecular FormulaC13H16Cl2O
Molecular Weight259.18 g/mol
Exact Mass258.06
IUPAC Name1-chloro-4-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene
SMILESClCC(COCC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H16Cl2O/c14-7-12(9-16-8-10-1-2-10)11-3-5-13(15)6-4-11/h3-6,10,12H,1-2,7-9H2
InChIKeyHYKVUMUGOPMKPS-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene
CID 106931388
1-chloro-4-(1,3-dichloropropan-2-yl)benzene
CID 79452794
2-(3-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-ol
CID 106931301
[1-bromo-3-(cyclopropylmethoxy)propan-2-yl]benzene
CID 65016411
1-chloro-4-(cyclopropylmethoxymethoxy)benzene
CID 106931199
2-(cyclopropylmethoxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 43211666
2-[(4-chlorophenyl)methyl]-3-(cyclopropylmethoxy)propanoic acid
CID 106930009
3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 106930862
2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine
CID 106930930
1-chloro-4-(1-chloro-4-propoxybutan-2-yl)benzene
CID 106459667
1-[2-bromo-1-(cyclopropylmethoxy)ethyl]-4-chlorobenzene
CID 62113858
1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 110911346

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene?
The IUPAC name of 1-chloro-4-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene (CID 106931382) is 1-chloro-4-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene.
What is the SMILES notation for 1-chloro-4-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene?
The canonical SMILES for 1-chloro-4-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene is ClCC(COCC1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene?
The InChIKey is HYKVUMUGOPMKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O/c14-7-12(9-16-8-10-1-2-10)11-3-5-13(15)6-4-11/h3-6,10,12H,1-2,7-9H2.
What are the key properties of 1-chloro-4-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene?
1-chloro-4-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene has a molecular weight of 259.18 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene is sourced from PubChem (CID 106931382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).