(3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol

C19H20OS — CID 105132379

IUPAC(3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol
SMILESOC(c1cccc(C2CCC2)c1)C1Cc2ccccc2S1
InChIInChI=1S/C19H20OS/c20-19(18-12-15-5-1-2-10-17(15)21-18)16-9-4-8-14(11-16)13-6-3-7-13/h1-2,4-5,8-11,13,18-20H,3,6-7,12H2
InChIKeyZVOUUHTZJLFDID-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.70
Rot. Bonds3

About (3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol

(3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol (PubChem CID 105132379) has the molecular formula C19H20OS and a molecular weight of 296.44 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol
PubChem CID105132379
Molecular FormulaC19H20OS
Molecular Weight296.44 g/mol
Exact Mass296.12
IUPAC Name(3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol
SMILESOC(c1cccc(C2CCC2)c1)C1Cc2ccccc2S1
InChIInChI=1S/C19H20OS/c20-19(18-12-15-5-1-2-10-17(15)21-18)16-9-4-8-14(11-16)13-6-3-7-13/h1-2,4-5,8-11,13,18-20H,3,6-7,12H2
InChIKeyZVOUUHTZJLFDID-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-cyclobutylphenyl)-cyclopropylmethanol
CID 114601273
(3-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol
CID 103345294
2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105100901
1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol
CID 103456751
(3-cyclobutylphenyl)-(3-methylcyclohexyl)methanol
CID 114601424
(1R)-1-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol
CID 104939857
(3-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 115839005
(3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 114601538
(3-cyclobutylphenyl)-(1,3-thiazol-2-yl)methanol
CID 114601615
2,3-dihydro-1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanol
CID 105121436
1-(3-cyclobutylphenyl)-2-methylsulfanylethanol
CID 114602219
1-(3-cyclobutylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312671

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol (CID 105132379) is (3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol is OC(c1cccc(C2CCC2)c1)C1Cc2ccccc2S1.
What is the InChIKey of (3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol?
The InChIKey is ZVOUUHTZJLFDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20OS/c20-19(18-12-15-5-1-2-10-17(15)21-18)16-9-4-8-14(11-16)13-6-3-7-13/h1-2,4-5,8-11,13,18-20H,3,6-7,12H2.
What are the key properties of (3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol?
(3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol has a molecular weight of 296.44 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 105132379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).