(2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone

C16H22O5 — CID 116810111

IUPAC(2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
SMILESCCOC1(C(=O)c2c(OC)cccc2OC)CCOCC1
InChIInChI=1S/C16H22O5/c1-4-21-16(8-10-20-11-9-16)15(17)14-12(18-2)6-5-7-13(14)19-3/h5-7H,4,8-11H2,1-3H3
InChIKeyXEARZVJQTJWCIK-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.47
Rot. Bonds6

About (2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone

(2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone (PubChem CID 116810111) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
PubChem CID116810111
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name(2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
SMILESCCOC1(C(=O)c2c(OC)cccc2OC)CCOCC1
InChIInChI=1S/C16H22O5/c1-4-21-16(8-10-20-11-9-16)15(17)14-12(18-2)6-5-7-13(14)19-3/h5-7H,4,8-11H2,1-3H3
InChIKeyXEARZVJQTJWCIK-UHFFFAOYSA-N
XLogP2.47
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116810109
(4-ethoxyoxan-4-yl)-(2-fluoro-3-methoxyphenyl)methanone
CID 116748849
(3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116748922
(4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone
CID 116748889
(2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone
CID 115813399
(4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone
CID 116748823
(3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 114602138
(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone
CID 116811529
(1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 116747941
4-ethoxyoxane-4-carboxylic acid
CID 78969464
(3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 107559961
(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116748454

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone (CID 116810111) is (2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone is CCOC1(C(=O)c2c(OC)cccc2OC)CCOCC1.
What is the InChIKey of (2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone?
The InChIKey is XEARZVJQTJWCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-4-21-16(8-10-20-11-9-16)15(17)14-12(18-2)6-5-7-13(14)19-3/h5-7H,4,8-11H2,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone?
(2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone has a molecular weight of 294.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone is sourced from PubChem (CID 116810111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).