1-(4-ethoxy-3-hydroxy-5,7,8-trimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone

C18H26O7 — CID 15383043

IUPAC1-(4-ethoxy-3-hydroxy-5,7,8-trimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone
SMILESCCOC1c2c(c(OC)c(OC)c(C(C)=O)c2OC)OC(C)(C)C1O
InChIInChI=1S/C18H26O7/c1-8-24-15-11-12(21-5)10(9(2)19)13(22-6)16(23-7)14(11)25-18(3,4)17(15)20/h15,17,20H,8H2,1-7H3
InChIKeyAMERCRIYENEJRO-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.52
Rot. Bonds6

About 1-(4-ethoxy-3-hydroxy-5,7,8-trimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone

1-(4-ethoxy-3-hydroxy-5,7,8-trimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone (PubChem CID 15383043) has the molecular formula C18H26O7 and a molecular weight of 354.40 g/mol. Its IUPAC name is 1-(4-ethoxy-3-hydroxy-5,7,8-trimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethoxy-3-hydroxy-5,7,8-trimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone
PubChem CID15383043
Molecular FormulaC18H26O7
Molecular Weight354.40 g/mol
Exact Mass354.17
IUPAC Name1-(4-ethoxy-3-hydroxy-5,7,8-trimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone
SMILESCCOC1c2c(c(OC)c(OC)c(C(C)=O)c2OC)OC(C)(C)C1O
InChIInChI=1S/C18H26O7/c1-8-24-15-11-12(21-5)10(9(2)19)13(22-6)16(23-7)14(11)25-18(3,4)17(15)20/h15,17,20H,8H2,1-7H3
InChIKeyAMERCRIYENEJRO-UHFFFAOYSA-N
XLogP2.52
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-ethoxy-3-hydroxy-5,7,8-trimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone with MolForge

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Related Compounds

1-[3,5-dihydroxy-7-methoxy-2,2-dimethyl-8-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]ethanone
CID 132577454
(3S,4R)-4-ethoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 177434477
(2-acetyl-5-acetyloxy-3,4,6-trimethoxyphenyl) acetate
CID 11759186
ethyl 4-acetyl-2,3,6-trimethoxy-5-methylbenzoate
CID 87118244
[2-acetyl-4-[(8-acetyl-5,7-diacetyloxy-2,2-dimethylchromen-6-yl)methyl]-3-acetyloxy-5-methoxy-6-methylphenyl] acetate
CID 44593368
[4-ethoxy-2,2-dimethyl-6-(methylamino)-3,4-dihydrochromen-3-yl] 3-methylbut-2-enoate
CID 20804242
2,3,4,5,6-pentamethoxybenzoic acid
CID 623385
methyl (3S,4S)-3,4-dihydroxy-6-(methoxymethoxy)-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5-carboxylate
CID 25145887
formic acid;5-methoxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-carboxylic acid
CID 67712886
1-[2-hydroxy-4,5,6-trimethoxy-3-(methoxymethoxy)phenyl]ethanone
CID 168863304
10-[2-(diethylamino)ethoxy]-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one
CID 23621215
(3S,4R)-3,4-dihydroxy-7,8-dimethoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
CID 14106217

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-hydroxy-5,7,8-trimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone?
The IUPAC name of 1-(4-ethoxy-3-hydroxy-5,7,8-trimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone (CID 15383043) is 1-(4-ethoxy-3-hydroxy-5,7,8-trimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone.
What is the SMILES notation for 1-(4-ethoxy-3-hydroxy-5,7,8-trimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone?
The canonical SMILES for 1-(4-ethoxy-3-hydroxy-5,7,8-trimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone is CCOC1c2c(c(OC)c(OC)c(C(C)=O)c2OC)OC(C)(C)C1O.
What is the InChIKey of 1-(4-ethoxy-3-hydroxy-5,7,8-trimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone?
The InChIKey is AMERCRIYENEJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O7/c1-8-24-15-11-12(21-5)10(9(2)19)13(22-6)16(23-7)14(11)25-18(3,4)17(15)20/h15,17,20H,8H2,1-7H3.
What are the key properties of 1-(4-ethoxy-3-hydroxy-5,7,8-trimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone?
1-(4-ethoxy-3-hydroxy-5,7,8-trimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone has a molecular weight of 354.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-hydroxy-5,7,8-trimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone is sourced from PubChem (CID 15383043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).