4-[(4-hydroxy-N-(4-hydroxyphenyl)anilino)methyl]phenol

C19H17NO3 — CID 44580308

IUPAC4-[(4-hydroxy-N-(4-hydroxyphenyl)anilino)methyl]phenol
SMILESOc1ccc(CN(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H17NO3/c21-17-7-1-14(2-8-17)13-20(15-3-9-18(22)10-4-15)16-5-11-19(23)12-6-16/h1-12,21-23H,13H2
InChIKeyCWSPUZWISVKRNJ-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.14
Rot. Bonds4

About 4-[(4-hydroxy-N-(4-hydroxyphenyl)anilino)methyl]phenol

4-[(4-hydroxy-N-(4-hydroxyphenyl)anilino)methyl]phenol (PubChem CID 44580308) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[(4-hydroxy-N-(4-hydroxyphenyl)anilino)methyl]phenol.

Molecular Properties

Compound Name4-[(4-hydroxy-N-(4-hydroxyphenyl)anilino)methyl]phenol
PubChem CID44580308
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name4-[(4-hydroxy-N-(4-hydroxyphenyl)anilino)methyl]phenol
SMILESOc1ccc(CN(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H17NO3/c21-17-7-1-14(2-8-17)13-20(15-3-9-18(22)10-4-15)16-5-11-19(23)12-6-16/h1-12,21-23H,13H2
InChIKeyCWSPUZWISVKRNJ-UHFFFAOYSA-N
XLogP4.14
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-N-(4-hydroxyphenyl)anilino)methyl]phenol?
The IUPAC name of 4-[(4-hydroxy-N-(4-hydroxyphenyl)anilino)methyl]phenol (CID 44580308) is 4-[(4-hydroxy-N-(4-hydroxyphenyl)anilino)methyl]phenol.
What is the SMILES notation for 4-[(4-hydroxy-N-(4-hydroxyphenyl)anilino)methyl]phenol?
The canonical SMILES for 4-[(4-hydroxy-N-(4-hydroxyphenyl)anilino)methyl]phenol is Oc1ccc(CN(c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-hydroxy-N-(4-hydroxyphenyl)anilino)methyl]phenol?
The InChIKey is CWSPUZWISVKRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-17-7-1-14(2-8-17)13-20(15-3-9-18(22)10-4-15)16-5-11-19(23)12-6-16/h1-12,21-23H,13H2.
What are the key properties of 4-[(4-hydroxy-N-(4-hydroxyphenyl)anilino)methyl]phenol?
4-[(4-hydroxy-N-(4-hydroxyphenyl)anilino)methyl]phenol has a molecular weight of 307.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-N-(4-hydroxyphenyl)anilino)methyl]phenol is sourced from PubChem (CID 44580308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).