2-[(2,5-dimethoxyphenyl)methylsulfanyl]phenol

C15H16O3S — CID 62000126

IUPAC2-[(2,5-dimethoxyphenyl)methylsulfanyl]phenol
SMILESCOc1ccc(OC)c(CSc2ccccc2O)c1
InChIInChI=1S/C15H16O3S/c1-17-12-7-8-14(18-2)11(9-12)10-19-15-6-4-3-5-13(15)16/h3-9,16H,10H2,1-2H3
InChIKeyNBBVLWRSFCRRGP-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.70
Rot. Bonds5

About 2-[(2,5-dimethoxyphenyl)methylsulfanyl]phenol

2-[(2,5-dimethoxyphenyl)methylsulfanyl]phenol (PubChem CID 62000126) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)methylsulfanyl]phenol.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)methylsulfanyl]phenol
PubChem CID62000126
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name2-[(2,5-dimethoxyphenyl)methylsulfanyl]phenol
SMILESCOc1ccc(OC)c(CSc2ccccc2O)c1
InChIInChI=1S/C15H16O3S/c1-17-12-7-8-14(18-2)11(9-12)10-19-15-6-4-3-5-13(15)16/h3-9,16H,10H2,1-2H3
InChIKeyNBBVLWRSFCRRGP-UHFFFAOYSA-N
XLogP3.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[(2,5-dimethoxyphenyl)methylsulfanyl]aniline
CID 43305831
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 22742653
2-[(2,5-dimethoxyphenyl)methylsulfanyl]-4-fluoroaniline
CID 79148966
4-chloro-2-[(2,5-dimethoxyphenyl)methylsulfanyl]aniline
CID 79527794
1-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-4-methoxybenzene
CID 65326046
3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol
CID 111489124
5-[(2,5-dimethoxyphenyl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 8848932
2-(2,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 78806562
[3-[(2-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methanamine
CID 64620304
5-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-2-amine
CID 43301902
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
2-[2-[[2-methoxy-5-(4-methoxyphenyl)phenyl]methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744969

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)methylsulfanyl]phenol?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)methylsulfanyl]phenol (CID 62000126) is 2-[(2,5-dimethoxyphenyl)methylsulfanyl]phenol.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)methylsulfanyl]phenol?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)methylsulfanyl]phenol is COc1ccc(OC)c(CSc2ccccc2O)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)methylsulfanyl]phenol?
The InChIKey is NBBVLWRSFCRRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-17-12-7-8-14(18-2)11(9-12)10-19-15-6-4-3-5-13(15)16/h3-9,16H,10H2,1-2H3.
What are the key properties of 2-[(2,5-dimethoxyphenyl)methylsulfanyl]phenol?
2-[(2,5-dimethoxyphenyl)methylsulfanyl]phenol has a molecular weight of 276.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)methylsulfanyl]phenol is sourced from PubChem (CID 62000126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).