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

C14H16O2S — CID 172650556

IUPAC[4-ethoxy-3-(5-methylthiophen-2-yl)phenyl]methanol
SMILESCCOc1ccc(CO)cc1-c1ccc(C)s1
InChIInChI=1S/C14H16O2S/c1-3-16-13-6-5-11(9-15)8-12(13)14-7-4-10(2)17-14/h4-8,15H,3,9H2,1-2H3
InChIKeyNCJQYMTUHBFHDK-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.61
Rot. Bonds4

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

[4-ethoxy-3-(5-methylthiophen-2-yl)phenyl]methanol (PubChem CID 172650556) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is [4-ethoxy-3-(5-methylthiophen-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-ethoxy-3-(5-methylthiophen-2-yl)phenyl]methanol
PubChem CID172650556
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name[4-ethoxy-3-(5-methylthiophen-2-yl)phenyl]methanol
SMILESCCOc1ccc(CO)cc1-c1ccc(C)s1
InChIInChI=1S/C14H16O2S/c1-3-16-13-6-5-11(9-15)8-12(13)14-7-4-10(2)17-14/h4-8,15H,3,9H2,1-2H3
InChIKeyNCJQYMTUHBFHDK-UHFFFAOYSA-N
XLogP3.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-3-(5-methylthiophen-2-yl)phenyl]methanol
CID 172650532
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene
CID 172603717
[3-(5-methylthiophen-2-yl)phenyl]methanol
CID 164647445
[3-ethoxy-4-(methoxymethoxy)phenyl]methanol
CID 65364627
2-ethoxy-5-(hydroxymethyl)benzoic acid
CID 163697379
[3-(4-ethoxyphenyl)-4-methoxyphenyl]methanol
CID 94272407
[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol
CID 642903
[4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol
CID 143066572
[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 28561734
N-[2-ethoxy-5-(hydroxymethyl)phenyl]acetamide
CID 82470650
ethyl 4-(5-methylthiophen-2-yl)-5-phenylpyridine-2-carboxylate
CID 134940968
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
CID 46347296

Frequently Asked Questions

What is the IUPAC name of [4-ethoxy-3-(5-methylthiophen-2-yl)phenyl]methanol?
The IUPAC name of [4-ethoxy-3-(5-methylthiophen-2-yl)phenyl]methanol (CID 172650556) is [4-ethoxy-3-(5-methylthiophen-2-yl)phenyl]methanol.
What is the SMILES notation for [4-ethoxy-3-(5-methylthiophen-2-yl)phenyl]methanol?
The canonical SMILES for [4-ethoxy-3-(5-methylthiophen-2-yl)phenyl]methanol is CCOc1ccc(CO)cc1-c1ccc(C)s1.
What is the InChIKey of [4-ethoxy-3-(5-methylthiophen-2-yl)phenyl]methanol?
The InChIKey is NCJQYMTUHBFHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S/c1-3-16-13-6-5-11(9-15)8-12(13)14-7-4-10(2)17-14/h4-8,15H,3,9H2,1-2H3.
What are the key properties of [4-ethoxy-3-(5-methylthiophen-2-yl)phenyl]methanol?
[4-ethoxy-3-(5-methylthiophen-2-yl)phenyl]methanol has a molecular weight of 248.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethoxy-3-(5-methylthiophen-2-yl)phenyl]methanol is sourced from PubChem (CID 172650556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).