1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol

C16H24O2 — CID 114200584

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol
SMILESCC(C)CC(C)C(O)c1cccc2c1OCCC2
InChIInChI=1S/C16H24O2/c1-11(2)10-12(3)15(17)14-8-4-6-13-7-5-9-18-16(13)14/h4,6,8,11-12,15,17H,5,7,9-10H2,1-3H3
InChIKeyFDKMNASNWLQCGB-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.73
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol

1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol (PubChem CID 114200584) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol
PubChem CID114200584
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol
SMILESCC(C)CC(C)C(O)c1cccc2c1OCCC2
InChIInChI=1S/C16H24O2/c1-11(2)10-12(3)15(17)14-8-4-6-13-7-5-9-18-16(13)14/h4,6,8,11-12,15,17H,5,7,9-10H2,1-3H3
InChIKeyFDKMNASNWLQCGB-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
CID 114743364
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
1-(3,4-dihydro-2H-chromen-8-yl)butane-1,2-diol
CID 103454473
1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylbutan-1-ol
CID 115837825
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
8-(2-methylpropyl)-3,4-dihydro-2H-chromene
CID 160635539
1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol
CID 114744719
3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol
CID 114743317
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine
CID 114745005
1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol
CID 114744556

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol (CID 114200584) is 1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol is CC(C)CC(C)C(O)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol?
The InChIKey is FDKMNASNWLQCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-11(2)10-12(3)15(17)14-8-4-6-13-7-5-9-18-16(13)14/h4,6,8,11-12,15,17H,5,7,9-10H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol?
1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.73, 4 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-8-yl)-2,4-dimethylpentan-1-ol is sourced from PubChem (CID 114200584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).