2-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one

C20H21ClO2 — CID 82185916

IUPAC2-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one
SMILESO=C1CCCCC1Cc1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C20H21ClO2/c21-19-7-3-1-6-17(19)14-23-18-11-9-15(10-12-18)13-16-5-2-4-8-20(16)22/h1,3,6-7,9-12,16H,2,4-5,8,13-14H2
InChIKeyNYFWESQSEPSBPA-UHFFFAOYSA-N
MW328.84 g/mol
LogP5.22
Rot. Bonds5

About 2-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one

2-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one (PubChem CID 82185916) has the molecular formula C20H21ClO2 and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one
PubChem CID82185916
Molecular FormulaC20H21ClO2
Molecular Weight328.84 g/mol
Exact Mass328.12
IUPAC Name2-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one
SMILESO=C1CCCCC1Cc1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C20H21ClO2/c21-19-7-3-1-6-17(19)14-23-18-11-9-15(10-12-18)13-16-5-2-4-8-20(16)22/h1,3,6-7,9-12,16H,2,4-5,8,13-14H2
InChIKeyNYFWESQSEPSBPA-UHFFFAOYSA-N
XLogP5.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.84
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one (CID 82185916) is 2-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one is O=C1CCCCC1Cc1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of 2-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one?
The InChIKey is NYFWESQSEPSBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClO2/c21-19-7-3-1-6-17(19)14-23-18-11-9-15(10-12-18)13-16-5-2-4-8-20(16)22/h1,3,6-7,9-12,16H,2,4-5,8,13-14H2.
What are the key properties of 2-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one?
2-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one has a molecular weight of 328.84 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one is sourced from PubChem (CID 82185916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).