5-(4-chlorophenyl)-3,4-dihydro-2H-pyran;3-(4-chlorophenyl)oxane

C22H24Cl2O2 — CID 160511846

IUPAC5-(4-chlorophenyl)-3,4-dihydro-2H-pyran;3-(4-chlorophenyl)oxane
SMILESClc1ccc(C2=COCCC2)cc1.Clc1ccc(C2CCCOC2)cc1
InChIInChI=1S/C11H13ClO.C11H11ClO/c2*12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h3-6,10H,1-2,7-8H2;3-6,8H,1-2,7H2
InChIKeyQTDMUUZLIUARBN-UHFFFAOYSA-N
MW391.34 g/mol
LogP6.73
Rot. Bonds2

About 5-(4-chlorophenyl)-3,4-dihydro-2H-pyran;3-(4-chlorophenyl)oxane

5-(4-chlorophenyl)-3,4-dihydro-2H-pyran;3-(4-chlorophenyl)oxane (PubChem CID 160511846) has the molecular formula C22H24Cl2O2 and a molecular weight of 391.34 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3,4-dihydro-2H-pyran;3-(4-chlorophenyl)oxane.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3,4-dihydro-2H-pyran;3-(4-chlorophenyl)oxane
PubChem CID160511846
Molecular FormulaC22H24Cl2O2
Molecular Weight391.34 g/mol
Exact Mass390.12
IUPAC Name5-(4-chlorophenyl)-3,4-dihydro-2H-pyran;3-(4-chlorophenyl)oxane
SMILESClc1ccc(C2=COCCC2)cc1.Clc1ccc(C2CCCOC2)cc1
InChIInChI=1S/C11H13ClO.C11H11ClO/c2*12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h3-6,10H,1-2,7-8H2;3-6,8H,1-2,7H2
InChIKeyQTDMUUZLIUARBN-UHFFFAOYSA-N
XLogP6.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]oxane
CID 143189162
3-(4-chlorophenyl)oxetane
CID 130113875
3-(4-propylphenyl)oxane
CID 21248099
(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[4-(oxan-3-yl)phenyl]methanone
CID 138038323
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4-(oxan-3-yl)benzamide
CID 166205987
(3R)-3-(4-bromophenyl)oxolane
CID 95731213
(2R)-2-(4-chlorophenyl)oxolane
CID 54328866
3-[4-[4-(2,3-difluoro-4-prop-2-enylphenyl)phenyl]-3-fluorophenyl]oxane
CID 67733394
4,6-dichloro-5-(4-fluorophenyl)-2-(oxan-3-yl)pyrimidine
CID 79431883
(3R)-3-phenyloxolane
CID 92859476
4,6-dichloro-2-(oxan-3-yl)pyrimidine
CID 63738240
1-azaspiro[4.5]decan-1-yl-[4-(oxan-3-yl)phenyl]methanone
CID 138038642

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3,4-dihydro-2H-pyran;3-(4-chlorophenyl)oxane?
The IUPAC name of 5-(4-chlorophenyl)-3,4-dihydro-2H-pyran;3-(4-chlorophenyl)oxane (CID 160511846) is 5-(4-chlorophenyl)-3,4-dihydro-2H-pyran;3-(4-chlorophenyl)oxane.
What is the SMILES notation for 5-(4-chlorophenyl)-3,4-dihydro-2H-pyran;3-(4-chlorophenyl)oxane?
The canonical SMILES for 5-(4-chlorophenyl)-3,4-dihydro-2H-pyran;3-(4-chlorophenyl)oxane is Clc1ccc(C2=COCCC2)cc1.Clc1ccc(C2CCCOC2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3,4-dihydro-2H-pyran;3-(4-chlorophenyl)oxane?
The InChIKey is QTDMUUZLIUARBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO.C11H11ClO/c2*12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h3-6,10H,1-2,7-8H2;3-6,8H,1-2,7H2.
What are the key properties of 5-(4-chlorophenyl)-3,4-dihydro-2H-pyran;3-(4-chlorophenyl)oxane?
5-(4-chlorophenyl)-3,4-dihydro-2H-pyran;3-(4-chlorophenyl)oxane has a molecular weight of 391.34 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3,4-dihydro-2H-pyran;3-(4-chlorophenyl)oxane is sourced from PubChem (CID 160511846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).