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

C14H20O2 — CID 114743364

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1cccc2c1OCCC2
InChIInChI=1S/C14H20O2/c1-3-10(2)13(15)12-8-4-6-11-7-5-9-16-14(11)12/h4,6,8,10,13,15H,3,5,7,9H2,1-2H3
InChIKeyYNBZZDFTEBTTSL-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.09
Rot. Bonds3

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

1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol (PubChem CID 114743364) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
PubChem CID114743364
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1cccc2c1OCCC2
InChIInChI=1S/C14H20O2/c1-3-10(2)13(15)12-8-4-6-11-7-5-9-16-14(11)12/h4,6,8,10,13,15H,3,5,7,9H2,1-2H3
InChIKeyYNBZZDFTEBTTSL-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol
CID 114200584
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
1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine
CID 114745351
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
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol
CID 114744719

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol (CID 114743364) is 1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol is CCC(C)C(O)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol?
The InChIKey is YNBZZDFTEBTTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-10(2)13(15)12-8-4-6-11-7-5-9-16-14(11)12/h4,6,8,10,13,15H,3,5,7,9H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol?
1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 3.09, 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-8-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 114743364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).