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

C20H21ClO2 — CID 82185910

IUPAC2-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one
SMILESO=C1CCCCC1Cc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClO2/c21-18-9-5-16(6-10-18)14-23-19-11-7-15(8-12-19)13-17-3-1-2-4-20(17)22/h5-12,17H,1-4,13-14H2
InChIKeyVMLNBGDCMCNZFP-UHFFFAOYSA-N
MW328.84 g/mol
LogP5.22
Rot. Bonds5

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

2-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one (PubChem CID 82185910) has the molecular formula C20H21ClO2 and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one
PubChem CID82185910
Molecular FormulaC20H21ClO2
Molecular Weight328.84 g/mol
Exact Mass328.12
IUPAC Name2-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one
SMILESO=C1CCCCC1Cc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClO2/c21-18-9-5-16(6-10-18)14-23-19-11-7-15(8-12-19)13-17-3-1-2-4-20(17)22/h5-12,17H,1-4,13-14H2
InChIKeyVMLNBGDCMCNZFP-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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Related Compounds

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CID 5302715
Beclobrate
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4'-Chloro-4-methoxychalcone
CID 5337609
7-(4-Chlorobenzyloxy)-1-tetralone
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1-(4-((4-Chlorobenzyl)oxy)phenyl)ethanone
CID 580653
3-(4-Ethoxyphenyl)-6-propylcyclohex-2-en-1-one
CID 2841181
4-(4-Chlorobenzoyl)phenyl 2,2-dimethylpropanoate
CID 14010407
SD-43775
CID 48080
4-[(4-Chlorobenzyl)oxy]benzaldehyde
CID 580647
1-Acetyl-3-[(4-chlorophenyl)methoxy]benzene
CID 895200
6-((4-Chlorobenzyl)oxy)-3,4-dihydronaphthalen-1(2H)-one
CID 13067328

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one (CID 82185910) is 2-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one is O=C1CCCCC1Cc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one?
The InChIKey is VMLNBGDCMCNZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClO2/c21-18-9-5-16(6-10-18)14-23-19-11-7-15(8-12-19)13-17-3-1-2-4-20(17)22/h5-12,17H,1-4,13-14H2.
What are the key properties of 2-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one?
2-[[4-[(4-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-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexan-1-one is sourced from PubChem (CID 82185910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).