2-[2-(4-butylphenyl)-2-chloroethyl]oxolane

C16H23ClO — CID 65157757

IUPAC2-[2-(4-butylphenyl)-2-chloroethyl]oxolane
SMILESCCCCc1ccc(C(Cl)CC2CCCO2)cc1
InChIInChI=1S/C16H23ClO/c1-2-3-5-13-7-9-14(10-8-13)16(17)12-15-6-4-11-18-15/h7-10,15-16H,2-6,11-12H2,1H3
InChIKeyFOMOFULNOKJTNJ-UHFFFAOYSA-N
MW266.81 g/mol
LogP4.88
Rot. Bonds6

About 2-[2-(4-butylphenyl)-2-chloroethyl]oxolane

2-[2-(4-butylphenyl)-2-chloroethyl]oxolane (PubChem CID 65157757) has the molecular formula C16H23ClO and a molecular weight of 266.81 g/mol. Its IUPAC name is 2-[2-(4-butylphenyl)-2-chloroethyl]oxolane.

Molecular Properties

Compound Name2-[2-(4-butylphenyl)-2-chloroethyl]oxolane
PubChem CID65157757
Molecular FormulaC16H23ClO
Molecular Weight266.81 g/mol
Exact Mass266.14
IUPAC Name2-[2-(4-butylphenyl)-2-chloroethyl]oxolane
SMILESCCCCc1ccc(C(Cl)CC2CCCO2)cc1
InChIInChI=1S/C16H23ClO/c1-2-3-5-13-7-9-14(10-8-13)16(17)12-15-6-4-11-18-15/h7-10,15-16H,2-6,11-12H2,1H3
InChIKeyFOMOFULNOKJTNJ-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 54.88
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-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43111276
1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160664
2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane
CID 65158350
1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63952731
1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene
CID 63431518
4-butyl-N-(oxan-2-ylmethyl)aniline
CID 43403485
2-[2-chloro-2-(2,3,4,5,6-pentamethylphenyl)ethyl]oxolane
CID 65157605
4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682480
2-[2-chloro-2-(4-methoxy-3,5-dimethylphenyl)ethyl]oxolane
CID 83068363
1-butyl-4-(1-chloro-3-methylbutyl)benzene
CID 63431905
[3-(oxolan-2-yl)-1-(4-propylphenyl)propyl]hydrazine
CID 105303812
2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane
CID 65157706

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butylphenyl)-2-chloroethyl]oxolane?
The IUPAC name of 2-[2-(4-butylphenyl)-2-chloroethyl]oxolane (CID 65157757) is 2-[2-(4-butylphenyl)-2-chloroethyl]oxolane.
What is the SMILES notation for 2-[2-(4-butylphenyl)-2-chloroethyl]oxolane?
The canonical SMILES for 2-[2-(4-butylphenyl)-2-chloroethyl]oxolane is CCCCc1ccc(C(Cl)CC2CCCO2)cc1.
What is the InChIKey of 2-[2-(4-butylphenyl)-2-chloroethyl]oxolane?
The InChIKey is FOMOFULNOKJTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO/c1-2-3-5-13-7-9-14(10-8-13)16(17)12-15-6-4-11-18-15/h7-10,15-16H,2-6,11-12H2,1H3.
What are the key properties of 2-[2-(4-butylphenyl)-2-chloroethyl]oxolane?
2-[2-(4-butylphenyl)-2-chloroethyl]oxolane has a molecular weight of 266.81 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butylphenyl)-2-chloroethyl]oxolane is sourced from PubChem (CID 65157757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).