(3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone

C16H22O5 — CID 116748922

IUPAC(3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
SMILESCCOC1(C(=O)c2cc(OC)cc(OC)c2)CCOCC1
InChIInChI=1S/C16H22O5/c1-4-21-16(5-7-20-8-6-16)15(17)12-9-13(18-2)11-14(10-12)19-3/h9-11H,4-8H2,1-3H3
InChIKeyCPUANUIDUIWXBK-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.47
Rot. Bonds6

About (3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone

(3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone (PubChem CID 116748922) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
PubChem CID116748922
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name(3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
SMILESCCOC1(C(=O)c2cc(OC)cc(OC)c2)CCOCC1
InChIInChI=1S/C16H22O5/c1-4-21-16(5-7-20-8-6-16)15(17)12-9-13(18-2)11-14(10-12)19-3/h9-11H,4-8H2,1-3H3
InChIKeyCPUANUIDUIWXBK-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

(4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone
CID 116748889
(4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone
CID 116748926
(2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116810111
(3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 107559961
(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 116749027
(4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone
CID 116748823
(3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 114602138
(4-ethoxyoxan-4-yl)-(2-fluoro-3-methoxyphenyl)methanone
CID 116748849
4-ethoxyoxane-4-carboxylic acid
CID 78969464
(3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 114521280
(3,5-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone
CID 116750038
(1-ethoxycyclopentyl)-(furan-3-yl)methanone
CID 116747796

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone (CID 116748922) is (3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone is CCOC1(C(=O)c2cc(OC)cc(OC)c2)CCOCC1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone?
The InChIKey is CPUANUIDUIWXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-4-21-16(5-7-20-8-6-16)15(17)12-9-13(18-2)11-14(10-12)19-3/h9-11H,4-8H2,1-3H3.
What are the key properties of (3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone?
(3,5-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 (3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone is sourced from PubChem (CID 116748922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).