2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone

C16H22O3 — CID 62381534

IUPAC2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)COCC2CCCCC2)cc1
InChIInChI=1S/C16H22O3/c1-18-15-9-7-14(8-10-15)16(17)12-19-11-13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3
InChIKeyZIDYJQRBKXUSNV-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.47
Rot. Bonds6

About 2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone

2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone (PubChem CID 62381534) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone
PubChem CID62381534
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)COCC2CCCCC2)cc1
InChIInChI=1S/C16H22O3/c1-18-15-9-7-14(8-10-15)16(17)12-19-11-13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3
InChIKeyZIDYJQRBKXUSNV-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylmethoxy)-1-(4-fluorophenyl)ethanone
CID 62383925
2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
CID 2404150
2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 61446447
2-(cyclopentylmethoxy)-1-(3,4-dichlorophenyl)ethanone
CID 66322656
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
CID 63491322
3-cyclohexyl-3-fluoro-1-(4-methoxyphenyl)propan-1-one
CID 22934178
cyclohexyl-[2-(4-methoxyphenyl)-2-oxoethyl]carbamic acid
CID 175054365
3-cyclohexyl-3-iodo-1-(4-methoxyphenyl)propan-1-one
CID 22934298
3-bromo-3-cyclohexyl-1-(4-methoxyphenyl)propan-1-one
CID 22934209
1-[3-(ethoxymethyl)piperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 110610297
cyclohexylmethyl 4-[2-(4-methoxyphenyl)acetyl]oxybenzoate
CID 130473799
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 55066538

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone (CID 62381534) is 2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)COCC2CCCCC2)cc1.
What is the InChIKey of 2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone?
The InChIKey is ZIDYJQRBKXUSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-18-15-9-7-14(8-10-15)16(17)12-19-11-13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3.
What are the key properties of 2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone?
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 62381534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).