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

C14H20O2 — CID 79838589

IUPAC3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol
SMILESCC(C)(CCO)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H20O2/c1-14(2,7-8-15)12-5-6-13-11(10-12)4-3-9-16-13/h5-6,10,15H,3-4,7-9H2,1-2H3
InChIKeyDEZDJHQBWWMLPF-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.67
Rot. Bonds3

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

3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol (PubChem CID 79838589) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol
PubChem CID79838589
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol
SMILESCC(C)(CCO)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H20O2/c1-14(2,7-8-15)12-5-6-13-11(10-12)4-3-9-16-13/h5-6,10,15H,3-4,7-9H2,1-2H3
InChIKeyDEZDJHQBWWMLPF-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-ol
CID 116841059
[[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol
CID 115229672
N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine
CID 79830139
3-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830322
N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]-N-methylmethanediamine
CID 115227515
3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 22592399
N-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]acetamide
CID 115191462
5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran
CID 79837255
N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195630
2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine
CID 82470188
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropane-1-thiol
CID 116866512
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830115

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol (CID 79838589) is 3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol is CC(C)(CCO)c1ccc2c(c1)CCCO2.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol?
The InChIKey is DEZDJHQBWWMLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-14(2,7-8-15)12-5-6-13-11(10-12)4-3-9-16-13/h5-6,10,15H,3-4,7-9H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol?
3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 79838589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).