2,2-diethoxy-6-methoxy-3,4-dihydrochromene

C14H20O4 — CID 131862776

IUPAC2,2-diethoxy-6-methoxy-3,4-dihydrochromene
SMILESCCOC1(OCC)CCc2cc(OC)ccc2O1
InChIInChI=1S/C14H20O4/c1-4-16-14(17-5-2)9-8-11-10-12(15-3)6-7-13(11)18-14/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyZSKNGVLHXCXORH-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.75
Rot. Bonds5

About 2,2-diethoxy-6-methoxy-3,4-dihydrochromene

2,2-diethoxy-6-methoxy-3,4-dihydrochromene (PubChem CID 131862776) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2,2-diethoxy-6-methoxy-3,4-dihydrochromene.

Molecular Properties

Compound Name2,2-diethoxy-6-methoxy-3,4-dihydrochromene
PubChem CID131862776
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2,2-diethoxy-6-methoxy-3,4-dihydrochromene
SMILESCCOC1(OCC)CCc2cc(OC)ccc2O1
InChIInChI=1S/C14H20O4/c1-4-16-14(17-5-2)9-8-11-10-12(15-3)6-7-13(11)18-14/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyZSKNGVLHXCXORH-UHFFFAOYSA-N
XLogP2.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]
CID 141173693
6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride
CID 121207060
2-ethyl-7-methoxy-2-propyl-3,4-dihydrochromene
CID 172625552
CID 68879023
CID 68879023
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
6-(2-methylpropoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 82045864
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran]
CID 14070048
4-[(2-methoxy-2-methyl-3,4-dihydrochromen-6-yl)oxy]aniline
CID 14307273
N,N-diethyl-2-(7-methoxy-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)acetamide
CID 110213519
(4R)-3'-ethoxy-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825149
6'-ethyl-6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-morpholine]
CID 115511191

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-6-methoxy-3,4-dihydrochromene?
The IUPAC name of 2,2-diethoxy-6-methoxy-3,4-dihydrochromene (CID 131862776) is 2,2-diethoxy-6-methoxy-3,4-dihydrochromene.
What is the SMILES notation for 2,2-diethoxy-6-methoxy-3,4-dihydrochromene?
The canonical SMILES for 2,2-diethoxy-6-methoxy-3,4-dihydrochromene is CCOC1(OCC)CCc2cc(OC)ccc2O1.
What is the InChIKey of 2,2-diethoxy-6-methoxy-3,4-dihydrochromene?
The InChIKey is ZSKNGVLHXCXORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-4-16-14(17-5-2)9-8-11-10-12(15-3)6-7-13(11)18-14/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 2,2-diethoxy-6-methoxy-3,4-dihydrochromene?
2,2-diethoxy-6-methoxy-3,4-dihydrochromene has a molecular weight of 252.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-6-methoxy-3,4-dihydrochromene is sourced from PubChem (CID 131862776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).