1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone

C14H17ClO3 — CID 114969178

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone
SMILESCOc1ccc(Cl)cc1C(=O)CC1CCOCC1
InChIInChI=1S/C14H17ClO3/c1-17-14-3-2-11(15)9-12(14)13(16)8-10-4-6-18-7-5-10/h2-3,9-10H,4-8H2,1H3
InChIKeyNEUCPVVGRPUNNF-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.35
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone

1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone (PubChem CID 114969178) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone
PubChem CID114969178
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone
SMILESCOc1ccc(Cl)cc1C(=O)CC1CCOCC1
InChIInChI=1S/C14H17ClO3/c1-17-14-3-2-11(15)9-12(14)13(16)8-10-4-6-18-7-5-10/h2-3,9-10H,4-8H2,1H3
InChIKeyNEUCPVVGRPUNNF-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone
CID 106790346
1-(2-amino-4-chlorophenyl)-2-(oxan-4-yl)ethanone
CID 64915585
1-(5-chloro-2-methoxyphenyl)-3-(1,3-dioxolan-2-yl)propan-1-one
CID 58838303
5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxy-N-(oxan-4-yl)benzamide
CID 90607046
1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826274
2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 103162387
3-amino-1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpropan-1-one
CID 116608850
2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 116591329
1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 82078374
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
1-(3-chloro-4-fluorophenyl)-2-(oxan-4-yl)ethanone
CID 55181010
5-chloro-2-methoxy-N-[3-(oxan-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene]benzamide
CID 24899698

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone (CID 114969178) is 1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone is COc1ccc(Cl)cc1C(=O)CC1CCOCC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone?
The InChIKey is NEUCPVVGRPUNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-17-14-3-2-11(15)9-12(14)13(16)8-10-4-6-18-7-5-10/h2-3,9-10H,4-8H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone?
1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone has a molecular weight of 268.74 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 114969178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).