(4-bromothiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol

C15H15BrOS — CID 79595191

IUPAC(4-bromothiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
SMILESOC(c1cscc1Br)C1CCCc2ccccc21
InChIInChI=1S/C15H15BrOS/c16-14-9-18-8-13(14)15(17)12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12,15,17H,3,5,7H2
InChIKeyVJCNBDLYKSCCQK-UHFFFAOYSA-N
MW323.25 g/mol
LogP4.66
Rot. Bonds2

About (4-bromothiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol

(4-bromothiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol (PubChem CID 79595191) has the molecular formula C15H15BrOS and a molecular weight of 323.25 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
PubChem CID79595191
Molecular FormulaC15H15BrOS
Molecular Weight323.25 g/mol
Exact Mass322.00
IUPAC Name(4-bromothiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
SMILESOC(c1cscc1Br)C1CCCc2ccccc21
InChIInChI=1S/C15H15BrOS/c16-14-9-18-8-13(14)15(17)12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12,15,17H,3,5,7H2
InChIKeyVJCNBDLYKSCCQK-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 62719512
1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247593
(5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 62720041
ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144539733
2,3-dihydrofuran-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 102653819
2-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 64906726
2,3-dihydro-1H-inden-1-yl-(2-methylphenyl)methanol
CID 65410784
(4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106762496
(4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 80533090
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
2-(2-chlorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247324
2,3-dihydro-1H-inden-1-yl(naphthalen-1-yl)methanol
CID 65411181

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol?
The IUPAC name of (4-bromothiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol (CID 79595191) is (4-bromothiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol?
The canonical SMILES for (4-bromothiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol is OC(c1cscc1Br)C1CCCc2ccccc21.
What is the InChIKey of (4-bromothiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol?
The InChIKey is VJCNBDLYKSCCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrOS/c16-14-9-18-8-13(14)15(17)12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12,15,17H,3,5,7H2.
What are the key properties of (4-bromothiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol?
(4-bromothiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol has a molecular weight of 323.25 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol is sourced from PubChem (CID 79595191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).