2-butyl-7-methyl-3,4-dihydro-2H-thiochromen-6-ol

C14H20OS — CID 139973351

IUPAC2-butyl-7-methyl-3,4-dihydro-2H-thiochromen-6-ol
SMILESCCCCC1CCc2cc(O)c(C)cc2S1
InChIInChI=1S/C14H20OS/c1-3-4-5-12-7-6-11-9-13(15)10(2)8-14(11)16-12/h8-9,12,15H,3-7H2,1-2H3
InChIKeyFWZRDUXAGLWUBN-UHFFFAOYSA-N
MW236.38 g/mol
LogP4.30
Rot. Bonds3

About 2-butyl-7-methyl-3,4-dihydro-2H-thiochromen-6-ol

2-butyl-7-methyl-3,4-dihydro-2H-thiochromen-6-ol (PubChem CID 139973351) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-butyl-7-methyl-3,4-dihydro-2H-thiochromen-6-ol.

Molecular Properties

Compound Name2-butyl-7-methyl-3,4-dihydro-2H-thiochromen-6-ol
PubChem CID139973351
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name2-butyl-7-methyl-3,4-dihydro-2H-thiochromen-6-ol
SMILESCCCCC1CCc2cc(O)c(C)cc2S1
InChIInChI=1S/C14H20OS/c1-3-4-5-12-7-6-11-9-13(15)10(2)8-14(11)16-12/h8-9,12,15H,3-7H2,1-2H3
InChIKeyFWZRDUXAGLWUBN-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-octyl-3,4-dihydro-2H-thiochromen-6-yl)ethanone
CID 10662322
2-ethyl-6-methoxy-7-methyl-3,4-dihydro-2H-thiochromene
CID 139973360
1,6-dimethyl-2,3-dihydro-1H-inden-5-ol
CID 71371609
(7R)-7-butyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
CID 143278538
3-hexyl-2,3-dihydrothieno[3,4-b][1,4]dithiine
CID 145020682
2-(dipropylamino)-6-methyl-2,3-dihydro-1H-inden-5-ol
CID 175535780
8-butyl-3-methoxy-7-methyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol
CID 59125908
6-(butylamino)-5,6,7,8-tetrahydronaphthalene-2,3-diol;hydrochloride
CID 19384718
2-butylthietane
CID 102085907
(1S)-1-decyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 98157851
(5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl) acetate
CID 174515763
6-heptylthian-2-one
CID 6431114

Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-methyl-3,4-dihydro-2H-thiochromen-6-ol?
The IUPAC name of 2-butyl-7-methyl-3,4-dihydro-2H-thiochromen-6-ol (CID 139973351) is 2-butyl-7-methyl-3,4-dihydro-2H-thiochromen-6-ol.
What is the SMILES notation for 2-butyl-7-methyl-3,4-dihydro-2H-thiochromen-6-ol?
The canonical SMILES for 2-butyl-7-methyl-3,4-dihydro-2H-thiochromen-6-ol is CCCCC1CCc2cc(O)c(C)cc2S1.
What is the InChIKey of 2-butyl-7-methyl-3,4-dihydro-2H-thiochromen-6-ol?
The InChIKey is FWZRDUXAGLWUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-3-4-5-12-7-6-11-9-13(15)10(2)8-14(11)16-12/h8-9,12,15H,3-7H2,1-2H3.
What are the key properties of 2-butyl-7-methyl-3,4-dihydro-2H-thiochromen-6-ol?
2-butyl-7-methyl-3,4-dihydro-2H-thiochromen-6-ol has a molecular weight of 236.38 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-methyl-3,4-dihydro-2H-thiochromen-6-ol is sourced from PubChem (CID 139973351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).