(3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol

C15H15BrOS — CID 114601538

IUPAC(3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol
SMILESOC(c1cccc(C2CCC2)c1)c1sccc1Br
InChIInChI=1S/C15H15BrOS/c16-13-7-8-18-15(13)14(17)12-6-2-5-11(9-12)10-3-1-4-10/h2,5-10,14,17H,1,3-4H2
InChIKeyRDNQHGPEKMAWAW-UHFFFAOYSA-N
MW323.26 g/mol
LogP4.86
Rot. Bonds3

About (3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol

(3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol (PubChem CID 114601538) has the molecular formula C15H15BrOS and a molecular weight of 323.26 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol
PubChem CID114601538
Molecular FormulaC15H15BrOS
Molecular Weight323.26 g/mol
Exact Mass322.00
IUPAC Name(3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol
SMILESOC(c1cccc(C2CCC2)c1)c1sccc1Br
InChIInChI=1S/C15H15BrOS/c16-13-7-8-18-15(13)14(17)12-6-2-5-11(9-12)10-3-1-4-10/h2,5-10,14,17H,1,3-4H2
InChIKeyRDNQHGPEKMAWAW-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-cyclopropylphenyl)-(3-methylthiophen-2-yl)methanol
CID 79991292
(3-cyclobutylphenyl)-(1,3-thiazol-2-yl)methanol
CID 114601615
(3-aminophenyl)-(3-bromothiophen-2-yl)methanol
CID 106695750
2-[(3-cyclopropylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid
CID 107432406
(3-chloro-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 103408312
2-(3-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol
CID 79980714
(5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 115839009
(3-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methanamine
CID 105053637
(3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol
CID 114602324
(3-cyclobutylphenyl)-cyclopropylmethanol
CID 114601273
(3-cyclobutylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115839041
3-[(3-cyclobutylphenyl)-hydroxymethyl]benzonitrile
CID 114601548

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol?
The IUPAC name of (3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol (CID 114601538) is (3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol.
What is the SMILES notation for (3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol?
The canonical SMILES for (3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol is OC(c1cccc(C2CCC2)c1)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol?
The InChIKey is RDNQHGPEKMAWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrOS/c16-13-7-8-18-15(13)14(17)12-6-2-5-11(9-12)10-3-1-4-10/h2,5-10,14,17H,1,3-4H2.
What are the key properties of (3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol?
(3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol has a molecular weight of 323.26 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol is sourced from PubChem (CID 114601538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).