[5-(hydroxymethyl)-2,4-bis[(5-methylthiophen-2-yl)methyl]phenyl]methanol

C20H22O2S2 — CID 102290574

IUPAC[5-(hydroxymethyl)-2,4-bis[(5-methylthiophen-2-yl)methyl]phenyl]methanol
SMILESCc1ccc(Cc2cc(Cc3ccc(C)s3)c(CO)cc2CO)s1
InChIInChI=1S/C20H22O2S2/c1-13-3-5-19(23-13)9-15-7-16(10-20-6-4-14(2)24-20)18(12-22)8-17(15)11-21/h3-8,21-22H,9-12H2,1-2H3
InChIKeyWIMSDPCGFAUWLI-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.59
Rot. Bonds6

About [5-(hydroxymethyl)-2,4-bis[(5-methylthiophen-2-yl)methyl]phenyl]methanol

[5-(hydroxymethyl)-2,4-bis[(5-methylthiophen-2-yl)methyl]phenyl]methanol (PubChem CID 102290574) has the molecular formula C20H22O2S2 and a molecular weight of 358.53 g/mol. Its IUPAC name is [5-(hydroxymethyl)-2,4-bis[(5-methylthiophen-2-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-2,4-bis[(5-methylthiophen-2-yl)methyl]phenyl]methanol
PubChem CID102290574
Molecular FormulaC20H22O2S2
Molecular Weight358.53 g/mol
Exact Mass358.11
IUPAC Name[5-(hydroxymethyl)-2,4-bis[(5-methylthiophen-2-yl)methyl]phenyl]methanol
SMILESCc1ccc(Cc2cc(Cc3ccc(C)s3)c(CO)cc2CO)s1
InChIInChI=1S/C20H22O2S2/c1-13-3-5-19(23-13)9-15-7-16(10-20-6-4-14(2)24-20)18(12-22)8-17(15)11-21/h3-8,21-22H,9-12H2,1-2H3
InChIKeyWIMSDPCGFAUWLI-UHFFFAOYSA-N
XLogP4.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-2,4-bis[(5-methylthiophen-2-yl)methyl]phenyl]methanol?
The IUPAC name of [5-(hydroxymethyl)-2,4-bis[(5-methylthiophen-2-yl)methyl]phenyl]methanol (CID 102290574) is [5-(hydroxymethyl)-2,4-bis[(5-methylthiophen-2-yl)methyl]phenyl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-2,4-bis[(5-methylthiophen-2-yl)methyl]phenyl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-2,4-bis[(5-methylthiophen-2-yl)methyl]phenyl]methanol is Cc1ccc(Cc2cc(Cc3ccc(C)s3)c(CO)cc2CO)s1.
What is the InChIKey of [5-(hydroxymethyl)-2,4-bis[(5-methylthiophen-2-yl)methyl]phenyl]methanol?
The InChIKey is WIMSDPCGFAUWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2S2/c1-13-3-5-19(23-13)9-15-7-16(10-20-6-4-14(2)24-20)18(12-22)8-17(15)11-21/h3-8,21-22H,9-12H2,1-2H3.
What are the key properties of [5-(hydroxymethyl)-2,4-bis[(5-methylthiophen-2-yl)methyl]phenyl]methanol?
[5-(hydroxymethyl)-2,4-bis[(5-methylthiophen-2-yl)methyl]phenyl]methanol has a molecular weight of 358.53 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-2,4-bis[(5-methylthiophen-2-yl)methyl]phenyl]methanol is sourced from PubChem (CID 102290574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).