4-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol

C13H13ClO3S — CID 117240691

IUPAC4-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol
SMILESOCC(COc1ccc(O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClO3S/c14-13-6-5-12(18-13)9(7-15)8-17-11-3-1-10(16)2-4-11/h1-6,9,15-16H,7-8H2
InChIKeyZVLPOBLJPLDNGW-UHFFFAOYSA-N
MW284.76 g/mol
LogP3.26
Rot. Bonds5

About 4-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol

4-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol (PubChem CID 117240691) has the molecular formula C13H13ClO3S and a molecular weight of 284.76 g/mol. Its IUPAC name is 4-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol.

Molecular Properties

Compound Name4-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol
PubChem CID117240691
Molecular FormulaC13H13ClO3S
Molecular Weight284.76 g/mol
Exact Mass284.03
IUPAC Name4-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol
SMILESOCC(COc1ccc(O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClO3S/c14-13-6-5-12(18-13)9(7-15)8-17-11-3-1-10(16)2-4-11/h1-6,9,15-16H,7-8H2
InChIKeyZVLPOBLJPLDNGW-UHFFFAOYSA-N
XLogP3.26
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate
CID 117241127
2-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol
CID 117240543
4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol
CID 117244973
2-(5-chlorothiophen-2-yl)-3-(2-methylphenoxy)propan-1-ol
CID 117240491
2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol
CID 117244097
2-(5-chlorothiophen-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 117240439
4-[2-(hydroxymethyl)butoxy]phenol
CID 117241981
2-(5-chlorothiophen-2-yl)-3-(cyclopropylamino)propan-1-ol
CID 117240288
[1-(5-chlorothiophen-2-yl)-2-hydroxyethyl] carbamate
CID 69369838
3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid
CID 117245303
2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethoxy]phenol
CID 117240073
4-[1-amino-2-(4-methylphenoxy)ethyl]phenol
CID 117244673

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol?
The IUPAC name of 4-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol (CID 117240691) is 4-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol.
What is the SMILES notation for 4-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol?
The canonical SMILES for 4-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol is OCC(COc1ccc(O)cc1)c1ccc(Cl)s1.
What is the InChIKey of 4-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol?
The InChIKey is ZVLPOBLJPLDNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO3S/c14-13-6-5-12(18-13)9(7-15)8-17-11-3-1-10(16)2-4-11/h1-6,9,15-16H,7-8H2.
What are the key properties of 4-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol?
4-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol has a molecular weight of 284.76 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol is sourced from PubChem (CID 117240691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).