2-(2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-3-yl)acetic acid

C14H18O4 — CID 19048933

IUPAC2-(2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-3-yl)acetic acid
SMILESCCC1Oc2ccc(OC)cc2CC1CC(=O)O
InChIInChI=1S/C14H18O4/c1-3-12-10(8-14(15)16)6-9-7-11(17-2)4-5-13(9)18-12/h4-5,7,10,12H,3,6,8H2,1-2H3,(H,15,16)
InChIKeyDMNWRZJKYQRAET-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.50
Rot. Bonds4

About 2-(2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-3-yl)acetic acid

2-(2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-3-yl)acetic acid (PubChem CID 19048933) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-(2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-3-yl)acetic acid
PubChem CID19048933
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-(2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-3-yl)acetic acid
SMILESCCC1Oc2ccc(OC)cc2CC1CC(=O)O
InChIInChI=1S/C14H18O4/c1-3-12-10(8-14(15)16)6-9-7-11(17-2)4-5-13(9)18-12/h4-5,7,10,12H,3,6,8H2,1-2H3,(H,15,16)
InChIKeyDMNWRZJKYQRAET-UHFFFAOYSA-N
XLogP2.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetamide
CID 121345070
(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol
CID 23244646
2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129361652
(2S)-6-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 70048394
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
3-(2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propanoic acid
CID 118759707
(2R)-6-methoxy-2-phenylmethoxy-3,4-dihydro-2H-chromene
CID 164682445
[3-ethyl-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-6-yl] acetate
CID 163437966
N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide
CID 92757032
(E)-N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]but-2-enamide
CID 42656668
N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 46704833
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-3-yl)acetic acid?
The IUPAC name of 2-(2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-3-yl)acetic acid (CID 19048933) is 2-(2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-3-yl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-3-yl)acetic acid?
The canonical SMILES for 2-(2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-3-yl)acetic acid is CCC1Oc2ccc(OC)cc2CC1CC(=O)O.
What is the InChIKey of 2-(2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-3-yl)acetic acid?
The InChIKey is DMNWRZJKYQRAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-12-10(8-14(15)16)6-9-7-11(17-2)4-5-13(9)18-12/h4-5,7,10,12H,3,6,8H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-3-yl)acetic acid?
2-(2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-3-yl)acetic acid has a molecular weight of 250.29 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-3-yl)acetic acid is sourced from PubChem (CID 19048933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).