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

C18H16O2S — CID 102829168

IUPAC(2-methylthiophen-3-yl)-(3-phenoxyphenyl)methanol
SMILESCc1sccc1C(O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H16O2S/c1-13-17(10-11-21-13)18(19)14-6-5-9-16(12-14)20-15-7-3-2-4-8-15/h2-12,18-19H,1H3
InChIKeySJDWDJYEMZOLDU-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.93
Rot. Bonds4

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

(2-methylthiophen-3-yl)-(3-phenoxyphenyl)methanol (PubChem CID 102829168) has the molecular formula C18H16O2S and a molecular weight of 296.39 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-(3-phenoxyphenyl)methanol.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-(3-phenoxyphenyl)methanol
PubChem CID102829168
Molecular FormulaC18H16O2S
Molecular Weight296.39 g/mol
Exact Mass296.09
IUPAC Name(2-methylthiophen-3-yl)-(3-phenoxyphenyl)methanol
SMILESCc1sccc1C(O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H16O2S/c1-13-17(10-11-21-13)18(19)14-6-5-9-16(12-14)20-15-7-3-2-4-8-15/h2-12,18-19H,1H3
InChIKeySJDWDJYEMZOLDU-UHFFFAOYSA-N
XLogP4.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-phenoxyphenyl)ethanol
CID 12882419
3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973441
(2S,3R,4S)-4-(3-phenoxyphenyl)pentane-2,3-diol
CID 135050581
(1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol
CID 171266953
(2-methylthiophen-3-yl)-thiophen-3-ylmethanol
CID 102829147
3-methyl-1-(3-phenoxyphenyl)butan-1-ol
CID 63893717
(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol
CID 79992255
[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102842607
1,3-benzodioxol-5-yl-(2-methylthiophen-3-yl)methanol
CID 102829165
cyclohexen-1-yl-(3-phenoxyphenyl)methanol
CID 106651003
anilino-[3-(4-methylphenoxy)phenyl]methanol
CID 142160349
1-(3-phenoxyphenyl)-2-thiophen-3-ylethanol
CID 65148023

Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-(3-phenoxyphenyl)methanol?
The IUPAC name of (2-methylthiophen-3-yl)-(3-phenoxyphenyl)methanol (CID 102829168) is (2-methylthiophen-3-yl)-(3-phenoxyphenyl)methanol.
What is the SMILES notation for (2-methylthiophen-3-yl)-(3-phenoxyphenyl)methanol?
The canonical SMILES for (2-methylthiophen-3-yl)-(3-phenoxyphenyl)methanol is Cc1sccc1C(O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (2-methylthiophen-3-yl)-(3-phenoxyphenyl)methanol?
The InChIKey is SJDWDJYEMZOLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2S/c1-13-17(10-11-21-13)18(19)14-6-5-9-16(12-14)20-15-7-3-2-4-8-15/h2-12,18-19H,1H3.
What are the key properties of (2-methylthiophen-3-yl)-(3-phenoxyphenyl)methanol?
(2-methylthiophen-3-yl)-(3-phenoxyphenyl)methanol has a molecular weight of 296.39 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)-(3-phenoxyphenyl)methanol is sourced from PubChem (CID 102829168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).