2-(4-chlorophenyl)oxolane;formaldehyde

C11H13ClO2 — CID 169170436

IUPAC2-(4-chlorophenyl)oxolane;formaldehyde
SMILESC=O.Clc1ccc(C2CCCO2)cc1
InChIInChI=1S/C10H11ClO.CH2O/c11-9-5-3-8(4-6-9)10-2-1-7-12-10;1-2/h3-6,10H,1-2,7H2;1H2
InChIKeyHYJRBXIKTLOTFO-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.01
Rot. Bonds1

About 2-(4-chlorophenyl)oxolane;formaldehyde

2-(4-chlorophenyl)oxolane;formaldehyde (PubChem CID 169170436) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)oxolane;formaldehyde.

Molecular Properties

Compound Name2-(4-chlorophenyl)oxolane;formaldehyde
PubChem CID169170436
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name2-(4-chlorophenyl)oxolane;formaldehyde
SMILESC=O.Clc1ccc(C2CCCO2)cc1
InChIInChI=1S/C10H11ClO.CH2O/c11-9-5-3-8(4-6-9)10-2-1-7-12-10;1-2/h3-6,10H,1-2,7H2;1H2
InChIKeyHYJRBXIKTLOTFO-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chlorophenyl)oxolane
CID 54328866
1-chloro-N-hydroxyformonitrilium;2-(4-chlorophenyl)oxolane
CID 169170437
2-[4-(trifluoromethyl)phenyl]oxolane
CID 72665644
3-[4-(oxolan-2-yl)phenyl]propanal
CID 117292661
2-(4-ethenylphenyl)oxane
CID 67163438
(2R)-2-(4-chlorophenyl)oxan-4-one
CID 131855614
N,N-dimethylmethanamine;2-phenyloxolane
CID 71271242
2-(4-prop-1-en-2-ylphenyl)oxane
CID 151047366
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
2-(4-ethynylphenyl)oxane
CID 139689024
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
O-[2-[4-(oxolan-2-yl)phenyl]ethyl]hydroxylamine
CID 117296388

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)oxolane;formaldehyde?
The IUPAC name of 2-(4-chlorophenyl)oxolane;formaldehyde (CID 169170436) is 2-(4-chlorophenyl)oxolane;formaldehyde.
What is the SMILES notation for 2-(4-chlorophenyl)oxolane;formaldehyde?
The canonical SMILES for 2-(4-chlorophenyl)oxolane;formaldehyde is C=O.Clc1ccc(C2CCCO2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)oxolane;formaldehyde?
The InChIKey is HYJRBXIKTLOTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO.CH2O/c11-9-5-3-8(4-6-9)10-2-1-7-12-10;1-2/h3-6,10H,1-2,7H2;1H2.
What are the key properties of 2-(4-chlorophenyl)oxolane;formaldehyde?
2-(4-chlorophenyl)oxolane;formaldehyde has a molecular weight of 212.68 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)oxolane;formaldehyde is sourced from PubChem (CID 169170436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).