1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromothiophen-3-yl)methanol

C15H21BrOS — CID 115820008

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromothiophen-3-yl)methanol
SMILESOC(c1cscc1Br)C1CCC2CCCCC2C1
InChIInChI=1S/C15H21BrOS/c16-14-9-18-8-13(14)15(17)12-6-5-10-3-1-2-4-11(10)7-12/h8-12,15,17H,1-7H2
InChIKeyRYTFSROLKFVUQK-UHFFFAOYSA-N
MW329.30 g/mol
LogP5.15
Rot. Bonds2

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromothiophen-3-yl)methanol

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromothiophen-3-yl)methanol (PubChem CID 115820008) has the molecular formula C15H21BrOS and a molecular weight of 329.30 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromothiophen-3-yl)methanol.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromothiophen-3-yl)methanol
PubChem CID115820008
Molecular FormulaC15H21BrOS
Molecular Weight329.30 g/mol
Exact Mass328.05
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromothiophen-3-yl)methanol
SMILESOC(c1cscc1Br)C1CCC2CCCCC2C1
InChIInChI=1S/C15H21BrOS/c16-14-9-18-8-13(14)15(17)12-6-5-10-3-1-2-4-11(10)7-12/h8-12,15,17H,1-7H2
InChIKeyRYTFSROLKFVUQK-UHFFFAOYSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.30
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromothiophen-3-yl)methanol with MolForge

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Related Compounds

(4-bromothiophen-3-yl)-cyclopropylmethanol
CID 79596364
(4-bromothiophen-3-yl)-cyclohexylmethanol
CID 79596363
7-bicyclo[4.1.0]heptanyl-(4-bromothiophen-3-yl)methanol
CID 115820159
1-(4-bromothiophen-3-yl)-2-cyclohexylethane-1,2-diol
CID 103459201
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 115828514
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methanol
CID 115840546
[1-(4-bromothiophen-3-yl)-2-cyclopropylpropyl]hydrazine
CID 105322583
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-bromo-3-fluorophenyl)ethanol
CID 115826409
(4-bromothiophen-3-yl)-(1,4-dioxan-2-yl)methanol
CID 115278605
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromo-5-methylthiophen-2-yl)methanamine
CID 102827092
1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 105010609
(4-bromothiophen-3-yl)-(1,4-oxathian-2-yl)methanol
CID 79962907

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromothiophen-3-yl)methanol?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromothiophen-3-yl)methanol (CID 115820008) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromothiophen-3-yl)methanol.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromothiophen-3-yl)methanol?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromothiophen-3-yl)methanol is OC(c1cscc1Br)C1CCC2CCCCC2C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromothiophen-3-yl)methanol?
The InChIKey is RYTFSROLKFVUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrOS/c16-14-9-18-8-13(14)15(17)12-6-5-10-3-1-2-4-11(10)7-12/h8-12,15,17H,1-7H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromothiophen-3-yl)methanol?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromothiophen-3-yl)methanol has a molecular weight of 329.30 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromothiophen-3-yl)methanol is sourced from PubChem (CID 115820008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).