[3-(4-methylthiophen-2-yl)-5-phenylmethoxyphenyl]methanol

C19H18O2S — CID 172650116

IUPAC[3-(4-methylthiophen-2-yl)-5-phenylmethoxyphenyl]methanol
SMILESCc1csc(-c2cc(CO)cc(OCc3ccccc3)c2)c1
InChIInChI=1S/C19H18O2S/c1-14-7-19(22-13-14)17-8-16(11-20)9-18(10-17)21-12-15-5-3-2-4-6-15/h2-10,13,20H,11-12H2,1H3
InChIKeyCXMHCAFNXMMZBF-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.79
Rot. Bonds5

About [3-(4-methylthiophen-2-yl)-5-phenylmethoxyphenyl]methanol

[3-(4-methylthiophen-2-yl)-5-phenylmethoxyphenyl]methanol (PubChem CID 172650116) has the molecular formula C19H18O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is [3-(4-methylthiophen-2-yl)-5-phenylmethoxyphenyl]methanol.

Molecular Properties

Compound Name[3-(4-methylthiophen-2-yl)-5-phenylmethoxyphenyl]methanol
PubChem CID172650116
Molecular FormulaC19H18O2S
Molecular Weight310.42 g/mol
Exact Mass310.10
IUPAC Name[3-(4-methylthiophen-2-yl)-5-phenylmethoxyphenyl]methanol
SMILESCc1csc(-c2cc(CO)cc(OCc3ccccc3)c2)c1
InChIInChI=1S/C19H18O2S/c1-14-7-19(22-13-14)17-8-16(11-20)9-18(10-17)21-12-15-5-3-2-4-6-15/h2-10,13,20H,11-12H2,1H3
InChIKeyCXMHCAFNXMMZBF-UHFFFAOYSA-N
XLogP4.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methoxy-5-(4-methylthiophen-2-yl)phenyl]methanol
CID 172650114
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
[2-(3-methyl-5-phenylmethoxyphenyl)phenyl]methanol
CID 70087922
3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol
CID 101175071
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
[3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol
CID 122435033
methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate
CID 24813623
2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone
CID 101175069
1-(3-methyl-5-phenylmethoxyphenyl)ethanone
CID 67988335
[6-(hydroxymethyl)-4-phenylmethoxy-2-pyridinyl]methanol
CID 11436507
[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyphenyl]methanol
CID 69313641
3-[(4-tert-butylphenyl)methoxy]-5-(hydroxymethyl)phenol
CID 101207534

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylthiophen-2-yl)-5-phenylmethoxyphenyl]methanol?
The IUPAC name of [3-(4-methylthiophen-2-yl)-5-phenylmethoxyphenyl]methanol (CID 172650116) is [3-(4-methylthiophen-2-yl)-5-phenylmethoxyphenyl]methanol.
What is the SMILES notation for [3-(4-methylthiophen-2-yl)-5-phenylmethoxyphenyl]methanol?
The canonical SMILES for [3-(4-methylthiophen-2-yl)-5-phenylmethoxyphenyl]methanol is Cc1csc(-c2cc(CO)cc(OCc3ccccc3)c2)c1.
What is the InChIKey of [3-(4-methylthiophen-2-yl)-5-phenylmethoxyphenyl]methanol?
The InChIKey is CXMHCAFNXMMZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2S/c1-14-7-19(22-13-14)17-8-16(11-20)9-18(10-17)21-12-15-5-3-2-4-6-15/h2-10,13,20H,11-12H2,1H3.
What are the key properties of [3-(4-methylthiophen-2-yl)-5-phenylmethoxyphenyl]methanol?
[3-(4-methylthiophen-2-yl)-5-phenylmethoxyphenyl]methanol has a molecular weight of 310.42 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylthiophen-2-yl)-5-phenylmethoxyphenyl]methanol is sourced from PubChem (CID 172650116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).