1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol

C13H18O2 — CID 65411536

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol
SMILESCCCC(O)C1CCOc2ccccc21
InChIInChI=1S/C13H18O2/c1-2-5-12(14)10-8-9-15-13-7-4-3-6-11(10)13/h3-4,6-7,10,12,14H,2,5,8-9H2,1H3
InChIKeyKOISXGSMYPTVSD-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.71
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol

1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol (PubChem CID 65411536) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol
PubChem CID65411536
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol
SMILESCCCC(O)C1CCOc2ccccc21
InChIInChI=1S/C13H18O2/c1-2-5-12(14)10-8-9-15-13-7-4-3-6-11(10)13/h3-4,6-7,10,12,14H,2,5,8-9H2,1H3
InChIKeyKOISXGSMYPTVSD-UHFFFAOYSA-N
XLogP2.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol
CID 65410168
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol
CID 79446143
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-amine
CID 107893468
1-(3,4-dihydro-2H-chromen-4-yl)but-3-yn-1-ol
CID 65411928
2-(3,4-dihydro-2H-chromen-4-yl)propan-1-ol
CID 130128093
1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol
CID 65410166
[1-(3,4-dihydro-2H-chromen-4-yl)-2-ethylbutyl]hydrazine
CID 105233719
1-(3,4-dihydro-2H-chromen-4-yl)-3-hydroxyhexan-2-one
CID 103454025
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol
CID 104769238
1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol
CID 65411728
2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 107308166
(4S)-4-[(1R)-1-nitropropyl]-3,4-dihydro-2H-chromene
CID 57342249

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol (CID 65411536) is 1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol is CCCC(O)C1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol?
The InChIKey is KOISXGSMYPTVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-5-12(14)10-8-9-15-13-7-4-3-6-11(10)13/h3-4,6-7,10,12,14H,2,5,8-9H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol?
1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol is sourced from PubChem (CID 65411536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).