[3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone

C18H25NO3 — CID 72865427

IUPAC[3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone
SMILESCCc1cccc(OC2CN(C(=O)C3CCC(O)CC3)C2)c1
InChIInChI=1S/C18H25NO3/c1-2-13-4-3-5-16(10-13)22-17-11-19(12-17)18(21)14-6-8-15(20)9-7-14/h3-5,10,14-15,17,20H,2,6-9,11-12H2,1H3
InChIKeyLOLMNEJBVSYZQR-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.39
Rot. Bonds4

About [3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone

[3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone (PubChem CID 72865427) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is [3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone.

Molecular Properties

Compound Name[3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone
PubChem CID72865427
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name[3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone
SMILESCCc1cccc(OC2CN(C(=O)C3CCC(O)CC3)C2)c1
InChIInChI=1S/C18H25NO3/c1-2-13-4-3-5-16(10-13)22-17-11-19(12-17)18(21)14-6-8-15(20)9-7-14/h3-5,10,14-15,17,20H,2,6-9,11-12H2,1H3
InChIKeyLOLMNEJBVSYZQR-UHFFFAOYSA-N
XLogP2.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 96578519
3-(3-ethylphenoxy)cyclopentan-1-ol
CID 79632352
1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one
CID 110603192
[3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70730822
1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 97202927
[3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 74234486
1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 110420722
[3-(3-ethylphenoxy)azetidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 77078846
(3-ethylphenoxy)cyclooctane
CID 91220327
1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone
CID 97112522
1-[3-(3-ethylphenoxy)azetidin-1-yl]-4-(4-methylpiperazin-1-yl)pentan-1-one
CID 70731356
[3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 72893956

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone?
The IUPAC name of [3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone (CID 72865427) is [3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone.
What is the SMILES notation for [3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone?
The canonical SMILES for [3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone is CCc1cccc(OC2CN(C(=O)C3CCC(O)CC3)C2)c1.
What is the InChIKey of [3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone?
The InChIKey is LOLMNEJBVSYZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-2-13-4-3-5-16(10-13)22-17-11-19(12-17)18(21)14-6-8-15(20)9-7-14/h3-5,10,14-15,17,20H,2,6-9,11-12H2,1H3.
What are the key properties of [3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone?
[3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone has a molecular weight of 303.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone is sourced from PubChem (CID 72865427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).