2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylthiophen-2-yl)methanol

C14H14O3S — CID 55006634

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)C1COc2ccccc2O1
InChIInChI=1S/C14H14O3S/c1-9-6-7-18-14(9)13(15)12-8-16-10-4-2-3-5-11(10)17-12/h2-7,12-13,15H,8H2,1H3
InChIKeyIFWAMHBVNMQATB-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.93
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylthiophen-2-yl)methanol

2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylthiophen-2-yl)methanol (PubChem CID 55006634) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylthiophen-2-yl)methanol
PubChem CID55006634
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)C1COc2ccccc2O1
InChIInChI=1S/C14H14O3S/c1-9-6-7-18-14(9)13(15)12-8-16-10-4-2-3-5-11(10)17-12/h2-7,12-13,15H,8H2,1H3
InChIKeyIFWAMHBVNMQATB-UHFFFAOYSA-N
XLogP2.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylthiophen-2-yl)methanol
CID 81158440
2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-methylphenyl)methanol
CID 107128510
(5-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 61087978
2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanol
CID 65351033
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-methylbutan-1-ol
CID 65351243
3-(1-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 91622126
(1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol
CID 22819017
2,3-dihydro-1,4-benzodioxin-3-yl-(2,3,4-trifluorophenyl)methanol
CID 65350657
(3,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 61081011
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]ethanol
CID 12855736
(2,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 61272354
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentan-1-ol
CID 114013464

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylthiophen-2-yl)methanol?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylthiophen-2-yl)methanol (CID 55006634) is 2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylthiophen-2-yl)methanol is Cc1ccsc1C(O)C1COc2ccccc2O1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylthiophen-2-yl)methanol?
The InChIKey is IFWAMHBVNMQATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-9-6-7-18-14(9)13(15)12-8-16-10-4-2-3-5-11(10)17-12/h2-7,12-13,15H,8H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylthiophen-2-yl)methanol?
2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylthiophen-2-yl)methanol has a molecular weight of 262.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 55006634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).