1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol

C17H26O2 — CID 55199817

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol
SMILESCCCCCCCC(O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H26O2/c1-2-3-4-5-6-9-16(18)14-10-11-17-15(13-14)8-7-12-19-17/h10-11,13,16,18H,2-9,12H2,1H3
InChIKeyKUKNPPBIRYLSBK-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.41
Rot. Bonds7

About 1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol

1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol (PubChem CID 55199817) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol
PubChem CID55199817
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol
SMILESCCCCCCCC(O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H26O2/c1-2-3-4-5-6-9-16(18)14-10-11-17-15(13-14)8-7-12-19-17/h10-11,13,16,18H,2-9,12H2,1H3
InChIKeyKUKNPPBIRYLSBK-UHFFFAOYSA-N
XLogP4.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.41
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

1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine
CID 63503929
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
(1S)-1-[24-[(1S)-1-hydroxynonyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]nonan-1-ol
CID 98159723
1-(2,3-dihydro-1-benzofuran-5-yl)decylhydrazine
CID 105293354
3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol
CID 63427036
1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine
CID 61026967
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
CID 65450080
2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol
CID 82241510
1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol
CID 62538318
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine
CID 114752389

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol (CID 55199817) is 1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol is CCCCCCCC(O)c1ccc2c(c1)CCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol?
The InChIKey is KUKNPPBIRYLSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-2-3-4-5-6-9-16(18)14-10-11-17-15(13-14)8-7-12-19-17/h10-11,13,16,18H,2-9,12H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol?
1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 4.41, 7 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-6-yl)octan-1-ol is sourced from PubChem (CID 55199817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).