3,4-dihydro-2H-chromen-2-ol;hexanoic acid

C15H22O4 — CID 175393308

IUPAC3,4-dihydro-2H-chromen-2-ol;hexanoic acid
SMILESCCCCCC(=O)O.OC1CCc2ccccc2O1
InChIInChI=1S/C9H10O2.C6H12O2/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-2-3-4-5-6(7)8/h1-4,9-10H,5-6H2;2-5H2,1H3,(H,7,8)
InChIKeyNUYIPYNHYZMADD-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.98
Rot. Bonds4

About 3,4-dihydro-2H-chromen-2-ol;hexanoic acid

3,4-dihydro-2H-chromen-2-ol;hexanoic acid (PubChem CID 175393308) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-2-ol;hexanoic acid.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-2-ol;hexanoic acid
PubChem CID175393308
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name3,4-dihydro-2H-chromen-2-ol;hexanoic acid
SMILESCCCCCC(=O)O.OC1CCc2ccccc2O1
InChIInChI=1S/C9H10O2.C6H12O2/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-2-3-4-5-6(7)8/h1-4,9-10H,5-6H2;2-5H2,1H3,(H,7,8)
InChIKeyNUYIPYNHYZMADD-UHFFFAOYSA-N
XLogP2.98
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 67444508
calcium;hydride;octadecanoic acid;phenol
CID 173411979
calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene
CID 175471981
11-undecyl-5H-benzo[d][1,3]benzodioxocine
CID 102512718
benzene;decanoic acid
CID 159351150
benzene;hexadecanoic acid
CID 162199490
cumene;octanoic acid
CID 174815768
benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol
CID 142231638
2H-chromene;octanoic acid
CID 67444505
2H-chromene;octadecanoic acid
CID 70524684
cobalt;octanoic acid;1,2-xylene
CID 175075701
2-benzofuran-1,3-dione;octadecanoic acid
CID 88717434

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-2-ol;hexanoic acid?
The IUPAC name of 3,4-dihydro-2H-chromen-2-ol;hexanoic acid (CID 175393308) is 3,4-dihydro-2H-chromen-2-ol;hexanoic acid.
What is the SMILES notation for 3,4-dihydro-2H-chromen-2-ol;hexanoic acid?
The canonical SMILES for 3,4-dihydro-2H-chromen-2-ol;hexanoic acid is CCCCCC(=O)O.OC1CCc2ccccc2O1.
What is the InChIKey of 3,4-dihydro-2H-chromen-2-ol;hexanoic acid?
The InChIKey is NUYIPYNHYZMADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C6H12O2/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-2-3-4-5-6(7)8/h1-4,9-10H,5-6H2;2-5H2,1H3,(H,7,8).
What are the key properties of 3,4-dihydro-2H-chromen-2-ol;hexanoic acid?
3,4-dihydro-2H-chromen-2-ol;hexanoic acid has a molecular weight of 266.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-2-ol;hexanoic acid is sourced from PubChem (CID 175393308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).