3-[(4-amino-2-methoxyphenyl)sulfinylmethyl]phenol

C14H15NO3S — CID 81207693

IUPAC3-[(4-amino-2-methoxyphenyl)sulfinylmethyl]phenol
SMILESCOc1cc(N)ccc1S(=O)Cc1cccc(O)c1
InChIInChI=1S/C14H15NO3S/c1-18-13-8-11(15)5-6-14(13)19(17)9-10-3-2-4-12(16)7-10/h2-8,16H,9,15H2,1H3
InChIKeyXQANWQBXRLZGJD-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.29
Rot. Bonds4

About 3-[(4-amino-2-methoxyphenyl)sulfinylmethyl]phenol

3-[(4-amino-2-methoxyphenyl)sulfinylmethyl]phenol (PubChem CID 81207693) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-[(4-amino-2-methoxyphenyl)sulfinylmethyl]phenol.

Molecular Properties

Compound Name3-[(4-amino-2-methoxyphenyl)sulfinylmethyl]phenol
PubChem CID81207693
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name3-[(4-amino-2-methoxyphenyl)sulfinylmethyl]phenol
SMILESCOc1cc(N)ccc1S(=O)Cc1cccc(O)c1
InChIInChI=1S/C14H15NO3S/c1-18-13-8-11(15)5-6-14(13)19(17)9-10-3-2-4-12(16)7-10/h2-8,16H,9,15H2,1H3
InChIKeyXQANWQBXRLZGJD-UHFFFAOYSA-N
XLogP2.29
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2-methoxyphenyl)sulfinylmethyl]phenol?
The IUPAC name of 3-[(4-amino-2-methoxyphenyl)sulfinylmethyl]phenol (CID 81207693) is 3-[(4-amino-2-methoxyphenyl)sulfinylmethyl]phenol.
What is the SMILES notation for 3-[(4-amino-2-methoxyphenyl)sulfinylmethyl]phenol?
The canonical SMILES for 3-[(4-amino-2-methoxyphenyl)sulfinylmethyl]phenol is COc1cc(N)ccc1S(=O)Cc1cccc(O)c1.
What is the InChIKey of 3-[(4-amino-2-methoxyphenyl)sulfinylmethyl]phenol?
The InChIKey is XQANWQBXRLZGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-18-13-8-11(15)5-6-14(13)19(17)9-10-3-2-4-12(16)7-10/h2-8,16H,9,15H2,1H3.
What are the key properties of 3-[(4-amino-2-methoxyphenyl)sulfinylmethyl]phenol?
3-[(4-amino-2-methoxyphenyl)sulfinylmethyl]phenol has a molecular weight of 277.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2-methoxyphenyl)sulfinylmethyl]phenol is sourced from PubChem (CID 81207693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).