2-[2-(3-methoxypropoxy)ethylsulfanyl]phenol

C12H18O3S — CID 103182103

IUPAC2-[2-(3-methoxypropoxy)ethylsulfanyl]phenol
SMILESCOCCCOCCSc1ccccc1O
InChIInChI=1S/C12H18O3S/c1-14-7-4-8-15-9-10-16-12-6-3-2-5-11(12)13/h2-3,5-6,13H,4,7-10H2,1H3
InChIKeyNBTOSRHFWQKEHS-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.54
Rot. Bonds8

About 2-[2-(3-methoxypropoxy)ethylsulfanyl]phenol

2-[2-(3-methoxypropoxy)ethylsulfanyl]phenol (PubChem CID 103182103) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethylsulfanyl]phenol.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethylsulfanyl]phenol
PubChem CID103182103
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Name2-[2-(3-methoxypropoxy)ethylsulfanyl]phenol
SMILESCOCCCOCCSc1ccccc1O
InChIInChI=1S/C12H18O3S/c1-14-7-4-8-15-9-10-16-12-6-3-2-5-11(12)13/h2-3,5-6,13H,4,7-10H2,1H3
InChIKeyNBTOSRHFWQKEHS-UHFFFAOYSA-N
XLogP2.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol
CID 112596118
2-[3-(2-methoxyethoxy)propylsulfanyl]benzoic acid
CID 103408928
2-[2-[2-(2-aminophenyl)sulfanylethoxy]ethylsulfanyl]aniline;benzene-1,4-diol
CID 70580415
1-(2-butoxyethylsulfanyl)-2-fluorobenzene
CID 78903276
(1S)-1-[2-(3-methoxypropylsulfanyl)phenyl]ethanol
CID 63855634
1-[2-(3-methoxypropylsulfanyl)phenyl]ethanol
CID 63855457
1-[3-[2-(3-methoxypropoxy)ethylsulfanyl]phenyl]-N-methylethanamine
CID 103184258
2-tetracosylsulfanylphenol
CID 139712021
2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine
CID 103178650
N-[[4-[2-(3-methoxypropoxy)ethylsulfanyl]phenyl]methyl]propan-2-amine
CID 103184284
2-[2-(3-methoxypropoxy)ethylsulfanyl]pyridine-3-carboxylic acid
CID 103177403
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)ethylsulfanyl]phenol?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethylsulfanyl]phenol (CID 103182103) is 2-[2-(3-methoxypropoxy)ethylsulfanyl]phenol.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethylsulfanyl]phenol?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethylsulfanyl]phenol is COCCCOCCSc1ccccc1O.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethylsulfanyl]phenol?
The InChIKey is NBTOSRHFWQKEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3S/c1-14-7-4-8-15-9-10-16-12-6-3-2-5-11(12)13/h2-3,5-6,13H,4,7-10H2,1H3.
What are the key properties of 2-[2-(3-methoxypropoxy)ethylsulfanyl]phenol?
2-[2-(3-methoxypropoxy)ethylsulfanyl]phenol has a molecular weight of 242.34 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)ethylsulfanyl]phenol is sourced from PubChem (CID 103182103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).