(5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol

C15H15ClOS — CID 62720041

IUPAC(5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
SMILESOC(c1ccc(Cl)s1)C1CCCc2ccccc21
InChIInChI=1S/C15H15ClOS/c16-14-9-8-13(18-14)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
InChIKeyOUZKYROPGABNLY-UHFFFAOYSA-N
MW278.80 g/mol
LogP4.55
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol

(5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol (PubChem CID 62720041) has the molecular formula C15H15ClOS and a molecular weight of 278.80 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
PubChem CID62720041
Molecular FormulaC15H15ClOS
Molecular Weight278.80 g/mol
Exact Mass278.05
IUPAC Name(5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
SMILESOC(c1ccc(Cl)s1)C1CCCc2ccccc21
InChIInChI=1S/C15H15ClOS/c16-14-9-8-13(18-14)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
InChIKeyOUZKYROPGABNLY-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.80
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105119690
2-(5-chlorothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 55175088
1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247593
(4-bromothiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 79595191
2-chloro-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene
CID 102764819
2-(2-chlorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247324
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
(5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 80530919
ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144539733
1-(5-bromothiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63503087
2-bromo-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene
CID 79991901

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol?
The IUPAC name of (5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol (CID 62720041) is (5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol?
The canonical SMILES for (5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol is OC(c1ccc(Cl)s1)C1CCCc2ccccc21.
What is the InChIKey of (5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol?
The InChIKey is OUZKYROPGABNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClOS/c16-14-9-8-13(18-14)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 (5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol?
(5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol has a molecular weight of 278.80 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol is sourced from PubChem (CID 62720041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).