2-(4-methoxy-N-(4-methoxyphenyl)anilino)butane-1,4-diol

C18H23NO4 — CID 70271768

IUPAC2-(4-methoxy-N-(4-methoxyphenyl)anilino)butane-1,4-diol
SMILESCOc1ccc(N(c2ccc(OC)cc2)C(CO)CCO)cc1
InChIInChI=1S/C18H23NO4/c1-22-17-7-3-14(4-8-17)19(16(13-21)11-12-20)15-5-9-18(23-2)10-6-15/h3-10,16,20-21H,11-13H2,1-2H3
InChIKeyXTQNUMXBSJLOMJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.59
Rot. Bonds8

About 2-(4-methoxy-N-(4-methoxyphenyl)anilino)butane-1,4-diol

2-(4-methoxy-N-(4-methoxyphenyl)anilino)butane-1,4-diol (PubChem CID 70271768) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(4-methoxy-N-(4-methoxyphenyl)anilino)butane-1,4-diol.

Molecular Properties

Compound Name2-(4-methoxy-N-(4-methoxyphenyl)anilino)butane-1,4-diol
PubChem CID70271768
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name2-(4-methoxy-N-(4-methoxyphenyl)anilino)butane-1,4-diol
SMILESCOc1ccc(N(c2ccc(OC)cc2)C(CO)CCO)cc1
InChIInChI=1S/C18H23NO4/c1-22-17-7-3-14(4-8-17)19(16(13-21)11-12-20)15-5-9-18(23-2)10-6-15/h3-10,16,20-21H,11-13H2,1-2H3
InChIKeyXTQNUMXBSJLOMJ-UHFFFAOYSA-N
XLogP2.59
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxy-N-(3-methoxyphenyl)anilino)butane-1,4-diol
CID 139840097
1-(4-methoxyphenoxy)propane-1,3-diol
CID 19593615
6,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)hexan-2-ol
CID 151344339
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
2-(N-benzhydryl-4-methoxyanilino)ethanol
CID 67427582
(2R)-2-fluoro-2-(4-methoxyphenyl)ethanol
CID 130626363
(1S)-1-(4-methoxyphenyl)pentane-1,5-diol
CID 92859928
4-(4-methoxyphenyl)pentane-1,2-diol
CID 83932154
bis[4-(4-methoxy-N-methylanilino)phenyl]methanol
CID 139653192
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
3-(4-methoxyphenyl)pentanedioic acid;3-(4-methoxyphenyl)pentane-1,5-diol
CID 159102179
(1S,3R)-3-amino-1-(4-methoxyphenyl)butane-1,4-diol
CID 121237727

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-(4-methoxyphenyl)anilino)butane-1,4-diol?
The IUPAC name of 2-(4-methoxy-N-(4-methoxyphenyl)anilino)butane-1,4-diol (CID 70271768) is 2-(4-methoxy-N-(4-methoxyphenyl)anilino)butane-1,4-diol.
What is the SMILES notation for 2-(4-methoxy-N-(4-methoxyphenyl)anilino)butane-1,4-diol?
The canonical SMILES for 2-(4-methoxy-N-(4-methoxyphenyl)anilino)butane-1,4-diol is COc1ccc(N(c2ccc(OC)cc2)C(CO)CCO)cc1.
What is the InChIKey of 2-(4-methoxy-N-(4-methoxyphenyl)anilino)butane-1,4-diol?
The InChIKey is XTQNUMXBSJLOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-22-17-7-3-14(4-8-17)19(16(13-21)11-12-20)15-5-9-18(23-2)10-6-15/h3-10,16,20-21H,11-13H2,1-2H3.
What are the key properties of 2-(4-methoxy-N-(4-methoxyphenyl)anilino)butane-1,4-diol?
2-(4-methoxy-N-(4-methoxyphenyl)anilino)butane-1,4-diol has a molecular weight of 317.39 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-(4-methoxyphenyl)anilino)butane-1,4-diol is sourced from PubChem (CID 70271768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).