2-(2-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid

C14H18O4 — CID 19098614

IUPAC2-(2-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid
SMILESCCC1Oc2ccccc2C(O)C1C(C)C(=O)O
InChIInChI=1S/C14H18O4/c1-3-10-12(8(2)14(16)17)13(15)9-6-4-5-7-11(9)18-10/h4-8,10,12-13,15H,3H2,1-2H3,(H,16,17)
InChIKeyDIASNTANDQXFAV-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.23
Rot. Bonds3

About 2-(2-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid

2-(2-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid (PubChem CID 19098614) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-(2-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid
PubChem CID19098614
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-(2-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid
SMILESCCC1Oc2ccccc2C(O)C1C(C)C(=O)O
InChIInChI=1S/C14H18O4/c1-3-10-12(8(2)14(16)17)13(15)9-6-4-5-7-11(9)18-10/h4-8,10,12-13,15H,3H2,1-2H3,(H,16,17)
InChIKeyDIASNTANDQXFAV-UHFFFAOYSA-N
XLogP2.23
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S,3R)-3-hydroxy-2,3-dihydro-1-benzofuran-2-yl]propan-1-one
CID 71445172
2-butan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114714846
(2S,3R)-2-benzyl-3-ethyl-2,3-dihydro-1-benzofuran
CID 11806703
ethyl (3R,3aS,8bS)-3-carbamoyl-2,3,3a,8b-tetrahydro-[1]benzofuro[3,2-b]pyrrole-1-carboxylate
CID 155901080
(2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol
CID 134958179
3-methyl-2-(9H-xanthen-9-yl)butanoic acid
CID 135032145
2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681616
2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonyl)propanoic acid
CID 79229941
(2R,3S,4R)-3-amino-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 11042883
(4S)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-ol
CID 104949803
2-[(2R,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 14250425
(2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 130124286

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid?
The IUPAC name of 2-(2-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid (CID 19098614) is 2-(2-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid.
What is the SMILES notation for 2-(2-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid?
The canonical SMILES for 2-(2-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid is CCC1Oc2ccccc2C(O)C1C(C)C(=O)O.
What is the InChIKey of 2-(2-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid?
The InChIKey is DIASNTANDQXFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-10-12(8(2)14(16)17)13(15)9-6-4-5-7-11(9)18-10/h4-8,10,12-13,15H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid?
2-(2-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid has a molecular weight of 250.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid is sourced from PubChem (CID 19098614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).