1-benzothiophen-3-yl-(2-propoxyphenyl)methanol

C18H18O2S — CID 104658650

IUPAC1-benzothiophen-3-yl-(2-propoxyphenyl)methanol
SMILESCCCOc1ccccc1C(O)c1csc2ccccc12
InChIInChI=1S/C18H18O2S/c1-2-11-20-16-9-5-3-8-14(16)18(19)15-12-21-17-10-6-4-7-13(15)17/h3-10,12,18-19H,2,11H2,1H3
InChIKeyNRWQJLSEZHEIEV-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.77
Rot. Bonds5

About 1-benzothiophen-3-yl-(2-propoxyphenyl)methanol

1-benzothiophen-3-yl-(2-propoxyphenyl)methanol (PubChem CID 104658650) has the molecular formula C18H18O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(2-propoxyphenyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(2-propoxyphenyl)methanol
PubChem CID104658650
Molecular FormulaC18H18O2S
Molecular Weight298.41 g/mol
Exact Mass298.10
IUPAC Name1-benzothiophen-3-yl-(2-propoxyphenyl)methanol
SMILESCCCOc1ccccc1C(O)c1csc2ccccc12
InChIInChI=1S/C18H18O2S/c1-2-11-20-16-9-5-3-8-14(16)18(19)15-12-21-17-10-6-4-7-13(15)17/h3-10,12,18-19H,2,11H2,1H3
InChIKeyNRWQJLSEZHEIEV-UHFFFAOYSA-N
XLogP4.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzothiophen-3-yl-(2-propoxyphenyl)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

1-benzothiophen-3-yl-(2-propoxyphenyl)methanamine
CID 105035778
(2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol
CID 104658962
(R)-1-benzothiophen-3-yl(phenyl)methanol
CID 101489601
1-(2-propoxyphenyl)ethanol
CID 43503976
(3-methoxythiophen-2-yl)-(2-propoxyphenyl)methanol
CID 115833017
(4-iodophenyl)-(2-propoxyphenyl)methanol
CID 115833070
1-benzothiophen-3-yl-(4-methylphenyl)methanol
CID 61088943
(2-methoxy-3-pyridinyl)-(2-propoxyphenyl)methanol
CID 105125991
1-benzothiophen-3-yl(quinolin-5-yl)methanol
CID 78917707
(4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 115833005
(2-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
CID 115833056
(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105125917

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(2-propoxyphenyl)methanol?
The IUPAC name of 1-benzothiophen-3-yl-(2-propoxyphenyl)methanol (CID 104658650) is 1-benzothiophen-3-yl-(2-propoxyphenyl)methanol.
What is the SMILES notation for 1-benzothiophen-3-yl-(2-propoxyphenyl)methanol?
The canonical SMILES for 1-benzothiophen-3-yl-(2-propoxyphenyl)methanol is CCCOc1ccccc1C(O)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(2-propoxyphenyl)methanol?
The InChIKey is NRWQJLSEZHEIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2S/c1-2-11-20-16-9-5-3-8-14(16)18(19)15-12-21-17-10-6-4-7-13(15)17/h3-10,12,18-19H,2,11H2,1H3.
What are the key properties of 1-benzothiophen-3-yl-(2-propoxyphenyl)methanol?
1-benzothiophen-3-yl-(2-propoxyphenyl)methanol has a molecular weight of 298.41 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(2-propoxyphenyl)methanol is sourced from PubChem (CID 104658650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).