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

C15H22O2 — CID 104769238

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol
SMILESCCCCC(O)CC1CCOc2ccccc21
InChIInChI=1S/C15H22O2/c1-2-3-6-13(16)11-12-9-10-17-15-8-5-4-7-14(12)15/h4-5,7-8,12-13,16H,2-3,6,9-11H2,1H3
InChIKeyZHRACYUCMIZFSM-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.49
Rot. Bonds5

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

1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol (PubChem CID 104769238) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol
PubChem CID104769238
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol
SMILESCCCCC(O)CC1CCOc2ccccc21
InChIInChI=1S/C15H22O2/c1-2-3-6-13(16)11-12-9-10-17-15-8-5-4-7-14(12)15/h4-5,7-8,12-13,16H,2-3,6,9-11H2,1H3
InChIKeyZHRACYUCMIZFSM-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol
CID 104769305
5-(3,4-dihydro-2H-chromen-4-yl)pentan-2-ol
CID 104771921
1-(3,4-dihydro-2H-chromen-4-yl)-3-hydroxyhexan-2-one
CID 103454025
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 104769879
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxypropan-2-ol
CID 104770040
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethylpentan-2-amine
CID 104770187
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one
CID 115798863
1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol
CID 65411536
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanol
CID 104769214
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol (CID 104769238) is 1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol is CCCCC(O)CC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol?
The InChIKey is ZHRACYUCMIZFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-3-6-13(16)11-12-9-10-17-15-8-5-4-7-14(12)15/h4-5,7-8,12-13,16H,2-3,6,9-11H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol?
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 3.49, 5 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)hexan-2-ol is sourced from PubChem (CID 104769238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).