1-(5-methylthiophen-2-yl)-2-phenylmethoxyethanol

C14H16O2S — CID 130966335

IUPAC1-(5-methylthiophen-2-yl)-2-phenylmethoxyethanol
SMILESCc1ccc(C(O)COCc2ccccc2)s1
InChIInChI=1S/C14H16O2S/c1-11-7-8-14(17-11)13(15)10-16-9-12-5-3-2-4-6-12/h2-8,13,15H,9-10H2,1H3
InChIKeyNIZLAEXOWTXUIM-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.31
Rot. Bonds5

About 1-(5-methylthiophen-2-yl)-2-phenylmethoxyethanol

1-(5-methylthiophen-2-yl)-2-phenylmethoxyethanol (PubChem CID 130966335) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-2-phenylmethoxyethanol.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-2-phenylmethoxyethanol
PubChem CID130966335
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name1-(5-methylthiophen-2-yl)-2-phenylmethoxyethanol
SMILESCc1ccc(C(O)COCc2ccccc2)s1
InChIInChI=1S/C14H16O2S/c1-11-7-8-14(17-11)13(15)10-16-9-12-5-3-2-4-6-12/h2-8,13,15H,9-10H2,1H3
InChIKeyNIZLAEXOWTXUIM-UHFFFAOYSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-methyl-1-phenylmethoxybutan-2-ol
CID 67509552
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
benzyl N-[2,3-dihydroxy-3-(5-methylthiophen-2-yl)propyl]carbamate
CID 171855314
2-phenylmethoxyethane-1,1-diol
CID 59866645
3-[2-hydroxy-2-(5-methylthiophen-2-yl)ethoxy]phenol
CID 117240147
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
(Z,2R)-1-phenylmethoxyhex-4-en-2-ol
CID 10352950
CID 172760983
CID 172760983
(2R)-4-(4-methylphenyl)-1-phenylmethoxybut-3-yn-2-ol
CID 14447497

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-2-phenylmethoxyethanol?
The IUPAC name of 1-(5-methylthiophen-2-yl)-2-phenylmethoxyethanol (CID 130966335) is 1-(5-methylthiophen-2-yl)-2-phenylmethoxyethanol.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-2-phenylmethoxyethanol?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-2-phenylmethoxyethanol is Cc1ccc(C(O)COCc2ccccc2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-2-phenylmethoxyethanol?
The InChIKey is NIZLAEXOWTXUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S/c1-11-7-8-14(17-11)13(15)10-16-9-12-5-3-2-4-6-12/h2-8,13,15H,9-10H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-2-phenylmethoxyethanol?
1-(5-methylthiophen-2-yl)-2-phenylmethoxyethanol has a molecular weight of 248.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-2-phenylmethoxyethanol is sourced from PubChem (CID 130966335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).