(5-bromo-2-ethoxyphenyl)-(oxan-2-yl)methanone

C14H17BrO3 — CID 62213865

IUPAC(5-bromo-2-ethoxyphenyl)-(oxan-2-yl)methanone
SMILESCCOc1ccc(Br)cc1C(=O)C1CCCCO1
InChIInChI=1S/C14H17BrO3/c1-2-17-12-7-6-10(15)9-11(12)14(16)13-5-3-4-8-18-13/h6-7,9,13H,2-5,8H2,1H3
InChIKeyOYXCXSOIEWJRQG-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.60
Rot. Bonds4

About (5-bromo-2-ethoxyphenyl)-(oxan-2-yl)methanone

(5-bromo-2-ethoxyphenyl)-(oxan-2-yl)methanone (PubChem CID 62213865) has the molecular formula C14H17BrO3 and a molecular weight of 313.19 g/mol. Its IUPAC name is (5-bromo-2-ethoxyphenyl)-(oxan-2-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-ethoxyphenyl)-(oxan-2-yl)methanone
PubChem CID62213865
Molecular FormulaC14H17BrO3
Molecular Weight313.19 g/mol
Exact Mass312.04
IUPAC Name(5-bromo-2-ethoxyphenyl)-(oxan-2-yl)methanone
SMILESCCOc1ccc(Br)cc1C(=O)C1CCCCO1
InChIInChI=1S/C14H17BrO3/c1-2-17-12-7-6-10(15)9-11(12)14(16)13-5-3-4-8-18-13/h6-7,9,13H,2-5,8H2,1H3
InChIKeyOYXCXSOIEWJRQG-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-methoxyphenyl)-(oxan-2-yl)methanone
CID 55048137
(5-bromo-2-ethoxyphenyl)-cyclopropylmethanone
CID 43311304
(5-bromo-2-ethoxyphenyl)-(2-ethyloxolan-3-yl)methanone
CID 114105395
5-bromo-N-cyclopropyl-2-ethoxybenzamide
CID 135563587
(5-bromo-2-ethoxyphenyl)-(1,1-dioxothiolan-3-yl)methanone
CID 64911303
1,4-dioxan-2-yl-(2-ethoxy-5-methylphenyl)methanone
CID 62799914
1-(5-bromo-2-ethoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 82051150
1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone
CID 82051142
1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 63951721
1-(5-bromo-2-ethoxyphenyl)-2-piperidin-1-ylethanone
CID 82051148
(2-bromo-4,5-diethoxyphenyl)-(1,4-dioxan-2-yl)methanone
CID 62799898
1-(5-bromo-2-ethoxyphenyl)-3-methoxypropan-1-one
CID 82051145

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethoxyphenyl)-(oxan-2-yl)methanone?
The IUPAC name of (5-bromo-2-ethoxyphenyl)-(oxan-2-yl)methanone (CID 62213865) is (5-bromo-2-ethoxyphenyl)-(oxan-2-yl)methanone.
What is the SMILES notation for (5-bromo-2-ethoxyphenyl)-(oxan-2-yl)methanone?
The canonical SMILES for (5-bromo-2-ethoxyphenyl)-(oxan-2-yl)methanone is CCOc1ccc(Br)cc1C(=O)C1CCCCO1.
What is the InChIKey of (5-bromo-2-ethoxyphenyl)-(oxan-2-yl)methanone?
The InChIKey is OYXCXSOIEWJRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO3/c1-2-17-12-7-6-10(15)9-11(12)14(16)13-5-3-4-8-18-13/h6-7,9,13H,2-5,8H2,1H3.
What are the key properties of (5-bromo-2-ethoxyphenyl)-(oxan-2-yl)methanone?
(5-bromo-2-ethoxyphenyl)-(oxan-2-yl)methanone has a molecular weight of 313.19 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-ethoxyphenyl)-(oxan-2-yl)methanone is sourced from PubChem (CID 62213865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).