2-[2-(2-chloro-5-phenylcyclohexyl)ethyl]oxolane

C18H25ClO — CID 65166104

IUPAC2-[2-(2-chloro-5-phenylcyclohexyl)ethyl]oxolane
SMILESClC1CCC(c2ccccc2)CC1CCC1CCCO1
InChIInChI=1S/C18H25ClO/c19-18-11-9-15(14-5-2-1-3-6-14)13-16(18)8-10-17-7-4-12-20-17/h1-3,5-6,15-18H,4,7-13H2
InChIKeyRLLPABZKWIHNDL-UHFFFAOYSA-N
MW292.85 g/mol
LogP5.14
Rot. Bonds4

About 2-[2-(2-chloro-5-phenylcyclohexyl)ethyl]oxolane

2-[2-(2-chloro-5-phenylcyclohexyl)ethyl]oxolane (PubChem CID 65166104) has the molecular formula C18H25ClO and a molecular weight of 292.85 g/mol. Its IUPAC name is 2-[2-(2-chloro-5-phenylcyclohexyl)ethyl]oxolane.

Molecular Properties

Compound Name2-[2-(2-chloro-5-phenylcyclohexyl)ethyl]oxolane
PubChem CID65166104
Molecular FormulaC18H25ClO
Molecular Weight292.85 g/mol
Exact Mass292.16
IUPAC Name2-[2-(2-chloro-5-phenylcyclohexyl)ethyl]oxolane
SMILESClC1CCC(c2ccccc2)CC1CCC1CCCO1
InChIInChI=1S/C18H25ClO/c19-18-11-9-15(14-5-2-1-3-6-14)13-16(18)8-10-17-7-4-12-20-17/h1-3,5-6,15-18H,4,7-13H2
InChIKeyRLLPABZKWIHNDL-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.85
LogP ≤ 55.14
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

2-bromo-5-[(2-chloro-5-phenylcyclohexyl)methyl]thiophene
CID 63472734
2-(oxan-2-ylmethoxy)-4-phenylcyclohexan-1-amine
CID 43184028
3-bromo-5-[(2-chloro-5-phenylcyclohexyl)methyl]pyridine
CID 104810123
2-[3-(2-chloro-5-ethylcyclohexyl)propyl]oxolane
CID 65165949
1-(oxolan-2-ylmethyl)-4-phenylcyclohexan-1-amine
CID 55096105
2-[3-(2-chlorocyclopentyl)propyl]oxolane
CID 65166471
6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 65166206
(2R)-2-(2-phenylmethoxyethyl)oxolane
CID 71119139
(2R,3S)-2-phenyloxan-3-amine
CID 131044940
1-chloro-5-(oxolan-2-yl)-3-phenylpentan-3-ol
CID 116696380
1-chloro-4-(oxolan-2-yl)-1-phenylbutan-2-one
CID 81236403
benzene;cyclopropylbenzene
CID 144638417

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-5-phenylcyclohexyl)ethyl]oxolane?
The IUPAC name of 2-[2-(2-chloro-5-phenylcyclohexyl)ethyl]oxolane (CID 65166104) is 2-[2-(2-chloro-5-phenylcyclohexyl)ethyl]oxolane.
What is the SMILES notation for 2-[2-(2-chloro-5-phenylcyclohexyl)ethyl]oxolane?
The canonical SMILES for 2-[2-(2-chloro-5-phenylcyclohexyl)ethyl]oxolane is ClC1CCC(c2ccccc2)CC1CCC1CCCO1.
What is the InChIKey of 2-[2-(2-chloro-5-phenylcyclohexyl)ethyl]oxolane?
The InChIKey is RLLPABZKWIHNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClO/c19-18-11-9-15(14-5-2-1-3-6-14)13-16(18)8-10-17-7-4-12-20-17/h1-3,5-6,15-18H,4,7-13H2.
What are the key properties of 2-[2-(2-chloro-5-phenylcyclohexyl)ethyl]oxolane?
2-[2-(2-chloro-5-phenylcyclohexyl)ethyl]oxolane has a molecular weight of 292.85 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-5-phenylcyclohexyl)ethyl]oxolane is sourced from PubChem (CID 65166104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).