(2-hydroxy-4-propoxyphenyl)-thiophen-2-ylmethanone

C14H14O3S — CID 5151105

IUPAC(2-hydroxy-4-propoxyphenyl)-thiophen-2-ylmethanone
SMILESCCCOc1ccc(C(=O)c2cccs2)c(O)c1
InChIInChI=1S/C14H14O3S/c1-2-7-17-10-5-6-11(12(15)9-10)14(16)13-4-3-8-18-13/h3-6,8-9,15H,2,7H2,1H3
InChIKeyZAWKFVYHGXRMLA-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.47
Rot. Bonds5

About (2-hydroxy-4-propoxyphenyl)-thiophen-2-ylmethanone

(2-hydroxy-4-propoxyphenyl)-thiophen-2-ylmethanone (PubChem CID 5151105) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is (2-hydroxy-4-propoxyphenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-hydroxy-4-propoxyphenyl)-thiophen-2-ylmethanone
PubChem CID5151105
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name(2-hydroxy-4-propoxyphenyl)-thiophen-2-ylmethanone
SMILESCCCOc1ccc(C(=O)c2cccs2)c(O)c1
InChIInChI=1S/C14H14O3S/c1-2-7-17-10-5-6-11(12(15)9-10)14(16)13-4-3-8-18-13/h3-6,8-9,15H,2,7H2,1H3
InChIKeyZAWKFVYHGXRMLA-UHFFFAOYSA-N
XLogP3.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone
CID 82051969
N-[(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 2643465
N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 135614713
4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793680
(4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone
CID 19832534
bis(4-butoxy-2-hydroxyphenyl)methanone;bis(2-hydroxy-4-propan-2-yloxyphenyl)methanone
CID 162086592
(2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone
CID 135325809
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
[2,4-di(undecoxy)phenyl]-(2-hydroxy-4-undecoxyphenyl)methanone
CID 20743749
(5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone
CID 80643738
(Z)-3-ethoxy-1-(2-hydroxy-4-propoxyphenyl)prop-2-en-1-one
CID 11776877

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-propoxyphenyl)-thiophen-2-ylmethanone?
The IUPAC name of (2-hydroxy-4-propoxyphenyl)-thiophen-2-ylmethanone (CID 5151105) is (2-hydroxy-4-propoxyphenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-hydroxy-4-propoxyphenyl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-hydroxy-4-propoxyphenyl)-thiophen-2-ylmethanone is CCCOc1ccc(C(=O)c2cccs2)c(O)c1.
What is the InChIKey of (2-hydroxy-4-propoxyphenyl)-thiophen-2-ylmethanone?
The InChIKey is ZAWKFVYHGXRMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-2-7-17-10-5-6-11(12(15)9-10)14(16)13-4-3-8-18-13/h3-6,8-9,15H,2,7H2,1H3.
What are the key properties of (2-hydroxy-4-propoxyphenyl)-thiophen-2-ylmethanone?
(2-hydroxy-4-propoxyphenyl)-thiophen-2-ylmethanone has a molecular weight of 262.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-propoxyphenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 5151105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).