1-(3,4-dihydro-2H-chromen-8-yl)-2-(oxan-2-yl)ethanol

C16H22O3 — CID 114744756

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-2-(oxan-2-yl)ethanol
SMILESOC(CC1CCCCO1)c1cccc2c1OCCC2
InChIInChI=1S/C16H22O3/c17-15(11-13-7-1-2-9-18-13)14-8-3-5-12-6-4-10-19-16(12)14/h3,5,8,13,15,17H,1-2,4,6-7,9-11H2
InChIKeyIKGNWCNALKVALG-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.00
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-8-yl)-2-(oxan-2-yl)ethanol

1-(3,4-dihydro-2H-chromen-8-yl)-2-(oxan-2-yl)ethanol (PubChem CID 114744756) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-2-(oxan-2-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-2-(oxan-2-yl)ethanol
PubChem CID114744756
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-2-(oxan-2-yl)ethanol
SMILESOC(CC1CCCCO1)c1cccc2c1OCCC2
InChIInChI=1S/C16H22O3/c17-15(11-13-7-1-2-9-18-13)14-8-3-5-12-6-4-10-19-16(12)14/h3,5,8,13,15,17H,1-2,4,6-7,9-11H2
InChIKeyIKGNWCNALKVALG-UHFFFAOYSA-N
XLogP3.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-2-yl)ethanamine
CID 114744900
1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol
CID 114744719
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-2-yl)ethanol
CID 104543084
1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol
CID 114744556
3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol
CID 115837861
1-(3,4-dihydro-2H-chromen-8-yl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103547239
1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol
CID 105130684
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol
CID 114744473
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745566
1-(3,4-dihydro-2H-chromen-8-yl)butane-1,2-diol
CID 103454473
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-(oxan-2-yl)ethanol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-(oxan-2-yl)ethanol (CID 114744756) is 1-(3,4-dihydro-2H-chromen-8-yl)-2-(oxan-2-yl)ethanol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-2-(oxan-2-yl)ethanol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-2-(oxan-2-yl)ethanol is OC(CC1CCCCO1)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-2-(oxan-2-yl)ethanol?
The InChIKey is IKGNWCNALKVALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c17-15(11-13-7-1-2-9-18-13)14-8-3-5-12-6-4-10-19-16(12)14/h3,5,8,13,15,17H,1-2,4,6-7,9-11H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-2-(oxan-2-yl)ethanol?
1-(3,4-dihydro-2H-chromen-8-yl)-2-(oxan-2-yl)ethanol has a molecular weight of 262.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-2-(oxan-2-yl)ethanol is sourced from PubChem (CID 114744756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).