(4-methoxyphenyl)-[5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl]methanol

C21H20O4S — CID 102321313

IUPAC(4-methoxyphenyl)-[5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl]methanol
SMILESCOc1ccc(C(O)c2ccc(C3(c4ccccc4)OCCO3)s2)cc1
InChIInChI=1S/C21H20O4S/c1-23-17-9-7-15(8-10-17)20(22)18-11-12-19(26-18)21(24-13-14-25-21)16-5-3-2-4-6-16/h2-12,20,22H,13-14H2,1H3
InChIKeyBDWQNCYCFRYUNG-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.09
Rot. Bonds5

About (4-methoxyphenyl)-[5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl]methanol

(4-methoxyphenyl)-[5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl]methanol (PubChem CID 102321313) has the molecular formula C21H20O4S and a molecular weight of 368.45 g/mol. Its IUPAC name is (4-methoxyphenyl)-[5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl]methanol.

Molecular Properties

Compound Name(4-methoxyphenyl)-[5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl]methanol
PubChem CID102321313
Molecular FormulaC21H20O4S
Molecular Weight368.45 g/mol
Exact Mass368.11
IUPAC Name(4-methoxyphenyl)-[5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl]methanol
SMILESCOc1ccc(C(O)c2ccc(C3(c4ccccc4)OCCO3)s2)cc1
InChIInChI=1S/C21H20O4S/c1-23-17-9-7-15(8-10-17)20(22)18-11-12-19(26-18)21(24-13-14-25-21)16-5-3-2-4-6-16/h2-12,20,22H,13-14H2,1H3
InChIKeyBDWQNCYCFRYUNG-UHFFFAOYSA-N
XLogP4.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-methoxyphenyl)-[5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-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

2-[(4-methoxyphenyl)-[5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl]methyl]-1H-pyrrole
CID 102321318
(S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol
CID 40535084
(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol
CID 61089121
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]-(4-methoxyphenyl)methanol
CID 141159898
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methoxybenzenesulfonamide
CID 73167915
1,3-benzothiazol-2-yl-(4-methoxyphenyl)methanol
CID 647548
(5-bromofuran-2-yl)-(4-methoxyphenyl)methanol
CID 61099698
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
CID 175713586
CID 175713586
N-[(S)-(4-methoxyphenyl)-[(2R)-2-phenyloxiran-2-yl]methyl]-N-(2-phenylpropan-2-yl)hydroxylamine
CID 134985455
(4-iodophenyl)-(4-methoxyphenyl)methanol
CID 61098998

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl]methanol?
The IUPAC name of (4-methoxyphenyl)-[5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl]methanol (CID 102321313) is (4-methoxyphenyl)-[5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl]methanol.
What is the SMILES notation for (4-methoxyphenyl)-[5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl]methanol?
The canonical SMILES for (4-methoxyphenyl)-[5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl]methanol is COc1ccc(C(O)c2ccc(C3(c4ccccc4)OCCO3)s2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl]methanol?
The InChIKey is BDWQNCYCFRYUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O4S/c1-23-17-9-7-15(8-10-17)20(22)18-11-12-19(26-18)21(24-13-14-25-21)16-5-3-2-4-6-16/h2-12,20,22H,13-14H2,1H3.
What are the key properties of (4-methoxyphenyl)-[5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl]methanol?
(4-methoxyphenyl)-[5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl]methanol has a molecular weight of 368.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl]methanol is sourced from PubChem (CID 102321313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).