2-[3-chloro-3-(6-methoxynaphthalen-2-yl)propyl]oxolane

C18H21ClO2 — CID 65157833

IUPAC2-[3-chloro-3-(6-methoxynaphthalen-2-yl)propyl]oxolane
SMILESCOc1ccc2cc(C(Cl)CCC3CCCO3)ccc2c1
InChIInChI=1S/C18H21ClO2/c1-20-17-7-6-13-11-15(5-4-14(13)12-17)18(19)9-8-16-3-2-10-21-16/h4-7,11-12,16,18H,2-3,8-10H2,1H3
InChIKeyREKWVVHEDWZNRB-UHFFFAOYSA-N
MW304.82 g/mol
LogP5.09
Rot. Bonds5

About 2-[3-chloro-3-(6-methoxynaphthalen-2-yl)propyl]oxolane

2-[3-chloro-3-(6-methoxynaphthalen-2-yl)propyl]oxolane (PubChem CID 65157833) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-[3-chloro-3-(6-methoxynaphthalen-2-yl)propyl]oxolane.

Molecular Properties

Compound Name2-[3-chloro-3-(6-methoxynaphthalen-2-yl)propyl]oxolane
PubChem CID65157833
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name2-[3-chloro-3-(6-methoxynaphthalen-2-yl)propyl]oxolane
SMILESCOc1ccc2cc(C(Cl)CCC3CCCO3)ccc2c1
InChIInChI=1S/C18H21ClO2/c1-20-17-7-6-13-11-15(5-4-14(13)12-17)18(19)9-8-16-3-2-10-21-16/h4-7,11-12,16,18H,2-3,8-10H2,1H3
InChIKeyREKWVVHEDWZNRB-UHFFFAOYSA-N
XLogP5.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.82
LogP ≤ 55.09
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

2-[3-chloro-3-(4-methoxy-2-methylphenyl)propyl]oxolane
CID 65157754
1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366
2-[3-bromo-3-(4-methoxyphenyl)propyl]oxolane
CID 65158211
2-[3-(3-bromo-4-methoxyphenyl)-3-chloropropyl]oxolane
CID 65158142
2-[3-bromo-3-(4-methoxyphenyl)propyl]oxane
CID 63953795
2-[3-chloro-3-(4-methoxy-3,5-dimethylphenyl)propyl]oxane
CID 83067757
5-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydro-2-benzofuran
CID 65157835
1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65167486
1-(2-bromo-4-methoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156141
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61040330
5-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydrobenzimidazol-2-one
CID 65158100
N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166969

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-3-(6-methoxynaphthalen-2-yl)propyl]oxolane?
The IUPAC name of 2-[3-chloro-3-(6-methoxynaphthalen-2-yl)propyl]oxolane (CID 65157833) is 2-[3-chloro-3-(6-methoxynaphthalen-2-yl)propyl]oxolane.
What is the SMILES notation for 2-[3-chloro-3-(6-methoxynaphthalen-2-yl)propyl]oxolane?
The canonical SMILES for 2-[3-chloro-3-(6-methoxynaphthalen-2-yl)propyl]oxolane is COc1ccc2cc(C(Cl)CCC3CCCO3)ccc2c1.
What is the InChIKey of 2-[3-chloro-3-(6-methoxynaphthalen-2-yl)propyl]oxolane?
The InChIKey is REKWVVHEDWZNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO2/c1-20-17-7-6-13-11-15(5-4-14(13)12-17)18(19)9-8-16-3-2-10-21-16/h4-7,11-12,16,18H,2-3,8-10H2,1H3.
What are the key properties of 2-[3-chloro-3-(6-methoxynaphthalen-2-yl)propyl]oxolane?
2-[3-chloro-3-(6-methoxynaphthalen-2-yl)propyl]oxolane has a molecular weight of 304.82 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-3-(6-methoxynaphthalen-2-yl)propyl]oxolane is sourced from PubChem (CID 65157833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).