(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol

C14H16O2S — CID 79992255

IUPAC(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol
SMILESCCOc1cccc(C(O)c2sccc2C)c1
InChIInChI=1S/C14H16O2S/c1-3-16-12-6-4-5-11(9-12)13(15)14-10(2)7-8-17-14/h4-9,13,15H,3H2,1-2H3
InChIKeySSHHWZBPTZMWNR-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.54
Rot. Bonds4

About (3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol

(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol (PubChem CID 79992255) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is (3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol
PubChem CID79992255
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol
SMILESCCOc1cccc(C(O)c2sccc2C)c1
InChIInChI=1S/C14H16O2S/c1-3-16-12-6-4-5-11(9-12)13(15)14-10(2)7-8-17-14/h4-9,13,15H,3H2,1-2H3
InChIKeySSHHWZBPTZMWNR-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol
CID 55132743
1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 79989016
N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 79989146
(2,4-dimethylphenyl)-(3-ethoxyphenyl)methanol
CID 62802337
3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993267
(3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol
CID 115838514
chloro-(3-ethoxyphenyl)methanol
CID 141156919
(3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol
CID 61101702
(3-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115827546
(3-cyclopropylphenyl)-(3-methylthiophen-2-yl)methanol
CID 79991292
(3-ethoxyphenyl)-(2-fluoro-4-methylphenyl)methanol
CID 115827523
(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542374

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol?
The IUPAC name of (3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol (CID 79992255) is (3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for (3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for (3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol is CCOc1cccc(C(O)c2sccc2C)c1.
What is the InChIKey of (3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol?
The InChIKey is SSHHWZBPTZMWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S/c1-3-16-12-6-4-5-11(9-12)13(15)14-10(2)7-8-17-14/h4-9,13,15H,3H2,1-2H3.
What are the key properties of (3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol?
(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol has a molecular weight of 248.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 79992255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).