10-(3,4-dihydro-2H-chromen-3-yl)decanoic acid

C19H28O3 — CID 150575494

IUPAC10-(3,4-dihydro-2H-chromen-3-yl)decanoic acid
SMILESO=C(O)CCCCCCCCCC1COc2ccccc2C1
InChIInChI=1S/C19H28O3/c20-19(21)13-7-5-3-1-2-4-6-10-16-14-17-11-8-9-12-18(17)22-15-16/h8-9,11-12,16H,1-7,10,13-15H2,(H,20,21)
InChIKeyIMSGLTKRGYGUFT-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.83
Rot. Bonds10

About 10-(3,4-dihydro-2H-chromen-3-yl)decanoic acid

10-(3,4-dihydro-2H-chromen-3-yl)decanoic acid (PubChem CID 150575494) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is 10-(3,4-dihydro-2H-chromen-3-yl)decanoic acid.

Molecular Properties

Compound Name10-(3,4-dihydro-2H-chromen-3-yl)decanoic acid
PubChem CID150575494
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Name10-(3,4-dihydro-2H-chromen-3-yl)decanoic acid
SMILESO=C(O)CCCCCCCCCC1COc2ccccc2C1
InChIInChI=1S/C19H28O3/c20-19(21)13-7-5-3-1-2-4-6-10-16-14-17-11-8-9-12-18(17)22-15-16/h8-9,11-12,16H,1-7,10,13-15H2,(H,20,21)
InChIKeyIMSGLTKRGYGUFT-UHFFFAOYSA-N
XLogP4.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]propanoic acid
CID 15027459
2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride
CID 142636452
6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid
CID 43241983
3-pent-4-enyl-3,4-dihydro-2H-chromene
CID 163719188
4-(3,4-dihydro-2H-chromene-3-carbonylamino)butanoic acid
CID 43241764
ethyl 4-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]butanoate
CID 14838465
2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde
CID 142734505
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
3-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)propanoic acid
CID 10597224
3,4-dihydro-2H-chromen-3-ylmethyl hydrogen sulfite
CID 91592911
1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(2S)-2-hydroxy-2-phenylethyl]urea
CID 94151870
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479

Frequently Asked Questions

What is the IUPAC name of 10-(3,4-dihydro-2H-chromen-3-yl)decanoic acid?
The IUPAC name of 10-(3,4-dihydro-2H-chromen-3-yl)decanoic acid (CID 150575494) is 10-(3,4-dihydro-2H-chromen-3-yl)decanoic acid.
What is the SMILES notation for 10-(3,4-dihydro-2H-chromen-3-yl)decanoic acid?
The canonical SMILES for 10-(3,4-dihydro-2H-chromen-3-yl)decanoic acid is O=C(O)CCCCCCCCCC1COc2ccccc2C1.
What is the InChIKey of 10-(3,4-dihydro-2H-chromen-3-yl)decanoic acid?
The InChIKey is IMSGLTKRGYGUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O3/c20-19(21)13-7-5-3-1-2-4-6-10-16-14-17-11-8-9-12-18(17)22-15-16/h8-9,11-12,16H,1-7,10,13-15H2,(H,20,21).
What are the key properties of 10-(3,4-dihydro-2H-chromen-3-yl)decanoic acid?
10-(3,4-dihydro-2H-chromen-3-yl)decanoic acid has a molecular weight of 304.43 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-dihydro-2H-chromen-3-yl)decanoic acid is sourced from PubChem (CID 150575494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).