4-(1-chloro-2-cyclopropylpropyl)-1,2-dipropoxybenzene

C18H27ClO2 — CID 83150104

IUPAC4-(1-chloro-2-cyclopropylpropyl)-1,2-dipropoxybenzene
SMILESCCCOc1ccc(C(Cl)C(C)C2CC2)cc1OCCC
InChIInChI=1S/C18H27ClO2/c1-4-10-20-16-9-8-15(12-17(16)21-11-5-2)18(19)13(3)14-6-7-14/h8-9,12-14,18H,4-7,10-11H2,1-3H3
InChIKeyWNRQUFUDFNZUOX-UHFFFAOYSA-N
MW310.87 g/mol
LogP5.59
Rot. Bonds9

About 4-(1-chloro-2-cyclopropylpropyl)-1,2-dipropoxybenzene

4-(1-chloro-2-cyclopropylpropyl)-1,2-dipropoxybenzene (PubChem CID 83150104) has the molecular formula C18H27ClO2 and a molecular weight of 310.87 g/mol. Its IUPAC name is 4-(1-chloro-2-cyclopropylpropyl)-1,2-dipropoxybenzene.

Molecular Properties

Compound Name4-(1-chloro-2-cyclopropylpropyl)-1,2-dipropoxybenzene
PubChem CID83150104
Molecular FormulaC18H27ClO2
Molecular Weight310.87 g/mol
Exact Mass310.17
IUPAC Name4-(1-chloro-2-cyclopropylpropyl)-1,2-dipropoxybenzene
SMILESCCCOc1ccc(C(Cl)C(C)C2CC2)cc1OCCC
InChIInChI=1S/C18H27ClO2/c1-4-10-20-16-9-8-15(12-17(16)21-11-5-2)18(19)13(3)14-6-7-14/h8-9,12-14,18H,4-7,10-11H2,1-3H3
InChIKeyWNRQUFUDFNZUOX-UHFFFAOYSA-N
XLogP5.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.87
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine
CID 16777784
4-[bromo(cyclobutyl)methyl]-1,2-dipropoxybenzene
CID 63440289
2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine
CID 83154180
4-(1-bromo-2-methylpropyl)-1,2-dipropoxybenzene
CID 63440244
2-cyclopropyl-1-(3,4-dipropoxyphenyl)propan-1-one
CID 83144881
2-(3,4-dipropoxyphenyl)pentan-3-ol
CID 79298154
2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-propoxybenzene
CID 104661944
3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine
CID 66436778
2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one
CID 79304001
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
2-(3,4-dipropoxyphenyl)-4-methylpentan-3-amine
CID 79304005
2-bromo-4-[bromo(cyclopropyl)methyl]-1-propoxybenzene
CID 104662081

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloro-2-cyclopropylpropyl)-1,2-dipropoxybenzene?
The IUPAC name of 4-(1-chloro-2-cyclopropylpropyl)-1,2-dipropoxybenzene (CID 83150104) is 4-(1-chloro-2-cyclopropylpropyl)-1,2-dipropoxybenzene.
What is the SMILES notation for 4-(1-chloro-2-cyclopropylpropyl)-1,2-dipropoxybenzene?
The canonical SMILES for 4-(1-chloro-2-cyclopropylpropyl)-1,2-dipropoxybenzene is CCCOc1ccc(C(Cl)C(C)C2CC2)cc1OCCC.
What is the InChIKey of 4-(1-chloro-2-cyclopropylpropyl)-1,2-dipropoxybenzene?
The InChIKey is WNRQUFUDFNZUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClO2/c1-4-10-20-16-9-8-15(12-17(16)21-11-5-2)18(19)13(3)14-6-7-14/h8-9,12-14,18H,4-7,10-11H2,1-3H3.
What are the key properties of 4-(1-chloro-2-cyclopropylpropyl)-1,2-dipropoxybenzene?
4-(1-chloro-2-cyclopropylpropyl)-1,2-dipropoxybenzene has a molecular weight of 310.87 g/mol, XLogP of 5.59, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloro-2-cyclopropylpropyl)-1,2-dipropoxybenzene is sourced from PubChem (CID 83150104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).