5-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydro-2-benzofuran

C15H19ClO2 — CID 65157835

IUPAC5-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydro-2-benzofuran
SMILESClC(CCC1CCCO1)c1ccc2c(c1)COC2
InChIInChI=1S/C15H19ClO2/c16-15(6-5-14-2-1-7-18-14)11-3-4-12-9-17-10-13(12)8-11/h3-4,8,14-15H,1-2,5-7,9-10H2
InChIKeyKAQOZRVMPPKFNJ-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.96
Rot. Bonds4

About 5-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydro-2-benzofuran

5-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydro-2-benzofuran (PubChem CID 65157835) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is 5-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydro-2-benzofuran
PubChem CID65157835
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name5-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydro-2-benzofuran
SMILESClC(CCC1CCCO1)c1ccc2c(c1)COC2
InChIInChI=1S/C15H19ClO2/c16-15(6-5-14-2-1-7-18-14)11-3-4-12-9-17-10-13(12)8-11/h3-4,8,14-15H,1-2,5-7,9-10H2
InChIKeyKAQOZRVMPPKFNJ-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.96
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

1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol
CID 65158240
5-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydrobenzimidazol-2-one
CID 65158100
5-[1-chloro-3-(oxan-2-yl)propyl]-2,2-dimethyl-3H-1-benzofuran
CID 63951987
2-[3-chloro-3-(6-methoxynaphthalen-2-yl)propyl]oxolane
CID 65157833
5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran
CID 63019567
2-[3-(3-bromo-4-methoxyphenyl)-3-chloropropyl]oxolane
CID 65158142
6-[1-chloro-3-(oxolan-2-yl)propyl]-4H-1,4-benzoxazin-3-one
CID 65158057
2-[3-bromo-3-(4-chlorophenyl)propyl]oxolane
CID 65158160
5-[bromo(oxan-2-yl)methyl]-1,3-dihydro-2-benzofuran
CID 63019928
N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 55228585
2-[3-chloro-3-(4,5-dibromothiophen-2-yl)propyl]oxolane
CID 80534126
2-[3-chloro-3-(4-methoxy-3,5-dimethylphenyl)propyl]oxane
CID 83067757

Frequently Asked Questions

What is the IUPAC name of 5-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydro-2-benzofuran (CID 65157835) is 5-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydro-2-benzofuran is ClC(CCC1CCCO1)c1ccc2c(c1)COC2.
What is the InChIKey of 5-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydro-2-benzofuran?
The InChIKey is KAQOZRVMPPKFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO2/c16-15(6-5-14-2-1-7-18-14)11-3-4-12-9-17-10-13(12)8-11/h3-4,8,14-15H,1-2,5-7,9-10H2.
What are the key properties of 5-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydro-2-benzofuran?
5-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydro-2-benzofuran has a molecular weight of 266.77 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 65157835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).