4-[N-(cyclopropylmethyl)-4-hydroxyanilino]phenol

C16H17NO2 — CID 44580264

IUPAC4-[N-(cyclopropylmethyl)-4-hydroxyanilino]phenol
SMILESOc1ccc(N(CC2CC2)c2ccc(O)cc2)cc1
InChIInChI=1S/C16H17NO2/c18-15-7-3-13(4-8-15)17(11-12-1-2-12)14-5-9-16(19)10-6-14/h3-10,12,18-19H,1-2,11H2
InChIKeyMWIMCSUKDZTAGK-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.65
Rot. Bonds4

About 4-[N-(cyclopropylmethyl)-4-hydroxyanilino]phenol

4-[N-(cyclopropylmethyl)-4-hydroxyanilino]phenol (PubChem CID 44580264) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[N-(cyclopropylmethyl)-4-hydroxyanilino]phenol.

Molecular Properties

Compound Name4-[N-(cyclopropylmethyl)-4-hydroxyanilino]phenol
PubChem CID44580264
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-[N-(cyclopropylmethyl)-4-hydroxyanilino]phenol
SMILESOc1ccc(N(CC2CC2)c2ccc(O)cc2)cc1
InChIInChI=1S/C16H17NO2/c18-15-7-3-13(4-8-15)17(11-12-1-2-12)14-5-9-16(19)10-6-14/h3-10,12,18-19H,1-2,11H2
InChIKeyMWIMCSUKDZTAGK-UHFFFAOYSA-N
XLogP3.65
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[N-(cyclopropylmethyl)-4-hydroxyanilino]phenol?
The IUPAC name of 4-[N-(cyclopropylmethyl)-4-hydroxyanilino]phenol (CID 44580264) is 4-[N-(cyclopropylmethyl)-4-hydroxyanilino]phenol.
What is the SMILES notation for 4-[N-(cyclopropylmethyl)-4-hydroxyanilino]phenol?
The canonical SMILES for 4-[N-(cyclopropylmethyl)-4-hydroxyanilino]phenol is Oc1ccc(N(CC2CC2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[N-(cyclopropylmethyl)-4-hydroxyanilino]phenol?
The InChIKey is MWIMCSUKDZTAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-15-7-3-13(4-8-15)17(11-12-1-2-12)14-5-9-16(19)10-6-14/h3-10,12,18-19H,1-2,11H2.
What are the key properties of 4-[N-(cyclopropylmethyl)-4-hydroxyanilino]phenol?
4-[N-(cyclopropylmethyl)-4-hydroxyanilino]phenol has a molecular weight of 255.32 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(cyclopropylmethyl)-4-hydroxyanilino]phenol is sourced from PubChem (CID 44580264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).