4-(2-methyl-3,4-dihydro-2H-chromen-7-yl)butanoic acid

C14H18O3 — CID 117340514

IUPAC4-(2-methyl-3,4-dihydro-2H-chromen-7-yl)butanoic acid
SMILESCC1CCc2ccc(CCCC(=O)O)cc2O1
InChIInChI=1S/C14H18O3/c1-10-5-7-12-8-6-11(9-13(12)17-10)3-2-4-14(15)16/h6,8-10H,2-5,7H2,1H3,(H,15,16)
InChIKeyVTIHCWSFYOUNFN-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.81
Rot. Bonds4

About 4-(2-methyl-3,4-dihydro-2H-chromen-7-yl)butanoic acid

4-(2-methyl-3,4-dihydro-2H-chromen-7-yl)butanoic acid (PubChem CID 117340514) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 4-(2-methyl-3,4-dihydro-2H-chromen-7-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-methyl-3,4-dihydro-2H-chromen-7-yl)butanoic acid
PubChem CID117340514
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name4-(2-methyl-3,4-dihydro-2H-chromen-7-yl)butanoic acid
SMILESCC1CCc2ccc(CCCC(=O)O)cc2O1
InChIInChI=1S/C14H18O3/c1-10-5-7-12-8-6-11(9-13(12)17-10)3-2-4-14(15)16/h6,8-10H,2-5,7H2,1H3,(H,15,16)
InChIKeyVTIHCWSFYOUNFN-UHFFFAOYSA-N
XLogP2.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethyl]piperazine
CID 117405682
4-(6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 83897017
4-(3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)butanoic acid
CID 82233196
2-(2-methyl-3,4-dihydro-2H-chromen-6-yl)ethanesulfonyl chloride
CID 84713984
1-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethanol
CID 117283229
4-(1,3-benzoxathiol-6-yl)butanoic acid
CID 117322068
3-(2,2-dimethyl-3H-1-benzofuran-6-yl)propanoic acid
CID 82392727
4-[8-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5,6,7,8-tetrahydronaphthalen-2-yl]butanoic acid
CID 10385112
4-(6H-benzo[c]chromen-9-yl)butanoic acid
CID 139771669
4-[2-(methylideneamino)-2,3-dihydro-1H-inden-5-yl]butanoic acid
CID 166125446
4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid
CID 117337941
4-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)butanoic acid
CID 117401771

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3,4-dihydro-2H-chromen-7-yl)butanoic acid?
The IUPAC name of 4-(2-methyl-3,4-dihydro-2H-chromen-7-yl)butanoic acid (CID 117340514) is 4-(2-methyl-3,4-dihydro-2H-chromen-7-yl)butanoic acid.
What is the SMILES notation for 4-(2-methyl-3,4-dihydro-2H-chromen-7-yl)butanoic acid?
The canonical SMILES for 4-(2-methyl-3,4-dihydro-2H-chromen-7-yl)butanoic acid is CC1CCc2ccc(CCCC(=O)O)cc2O1.
What is the InChIKey of 4-(2-methyl-3,4-dihydro-2H-chromen-7-yl)butanoic acid?
The InChIKey is VTIHCWSFYOUNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10-5-7-12-8-6-11(9-13(12)17-10)3-2-4-14(15)16/h6,8-10H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 4-(2-methyl-3,4-dihydro-2H-chromen-7-yl)butanoic acid?
4-(2-methyl-3,4-dihydro-2H-chromen-7-yl)butanoic acid has a molecular weight of 234.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3,4-dihydro-2H-chromen-7-yl)butanoic acid is sourced from PubChem (CID 117340514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).