[4-[2-(2-phenoxyethoxy)ethylsulfanyl]-2-pyridinyl]methanol

C16H19NO3S — CID 139756542

IUPAC[4-[2-(2-phenoxyethoxy)ethylsulfanyl]-2-pyridinyl]methanol
SMILESOCc1cc(SCCOCCOc2ccccc2)ccn1
InChIInChI=1S/C16H19NO3S/c18-13-14-12-16(6-7-17-14)21-11-10-19-8-9-20-15-4-2-1-3-5-15/h1-7,12,18H,8-11,13H2
InChIKeyJNLFNMSFGAUKIE-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.76
Rot. Bonds9

About [4-[2-(2-phenoxyethoxy)ethylsulfanyl]-2-pyridinyl]methanol

[4-[2-(2-phenoxyethoxy)ethylsulfanyl]-2-pyridinyl]methanol (PubChem CID 139756542) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is [4-[2-(2-phenoxyethoxy)ethylsulfanyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[2-(2-phenoxyethoxy)ethylsulfanyl]-2-pyridinyl]methanol
PubChem CID139756542
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name[4-[2-(2-phenoxyethoxy)ethylsulfanyl]-2-pyridinyl]methanol
SMILESOCc1cc(SCCOCCOc2ccccc2)ccn1
InChIInChI=1S/C16H19NO3S/c18-13-14-12-16(6-7-17-14)21-11-10-19-8-9-20-15-4-2-1-3-5-15/h1-7,12,18H,8-11,13H2
InChIKeyJNLFNMSFGAUKIE-UHFFFAOYSA-N
XLogP2.76
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenoxyethoxy)ethanol
CID 7715
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
2,6-bis(hydroxymethyl)-4-(2-phenoxyethylsulfanyl)phenol
CID 154252496
3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol
CID 23045273
cumene;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 123989591
[3-bromo-4-(2-phenoxyethoxy)phenyl]methanol
CID 55146760
(4-butoxy-2-pyridinyl)methanol
CID 61256357
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185
[4-(4-phenylphenoxy)-2-pyridinyl]methanol
CID 61255006
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
2-(3-chloropropoxy)ethoxybenzene
CID 24689326
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-phenoxyethoxy)ethylsulfanyl]-2-pyridinyl]methanol?
The IUPAC name of [4-[2-(2-phenoxyethoxy)ethylsulfanyl]-2-pyridinyl]methanol (CID 139756542) is [4-[2-(2-phenoxyethoxy)ethylsulfanyl]-2-pyridinyl]methanol.
What is the SMILES notation for [4-[2-(2-phenoxyethoxy)ethylsulfanyl]-2-pyridinyl]methanol?
The canonical SMILES for [4-[2-(2-phenoxyethoxy)ethylsulfanyl]-2-pyridinyl]methanol is OCc1cc(SCCOCCOc2ccccc2)ccn1.
What is the InChIKey of [4-[2-(2-phenoxyethoxy)ethylsulfanyl]-2-pyridinyl]methanol?
The InChIKey is JNLFNMSFGAUKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c18-13-14-12-16(6-7-17-14)21-11-10-19-8-9-20-15-4-2-1-3-5-15/h1-7,12,18H,8-11,13H2.
What are the key properties of [4-[2-(2-phenoxyethoxy)ethylsulfanyl]-2-pyridinyl]methanol?
[4-[2-(2-phenoxyethoxy)ethylsulfanyl]-2-pyridinyl]methanol has a molecular weight of 305.40 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-phenoxyethoxy)ethylsulfanyl]-2-pyridinyl]methanol is sourced from PubChem (CID 139756542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).