4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)-pyridin-2-ylmethyl]phenol

C18H15NO2 — CID 141322642

IUPAC4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)-pyridin-2-ylmethyl]phenol
SMILESOc1ccc(C(=C2C=CC=CC2O)c2ccccn2)cc1
InChIInChI=1S/C18H15NO2/c20-14-10-8-13(9-11-14)18(16-6-3-4-12-19-16)15-5-1-2-7-17(15)21/h1-12,17,20-21H
InChIKeyMHVFOIXRVZSYRY-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.08
Rot. Bonds2

About 4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)-pyridin-2-ylmethyl]phenol

4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)-pyridin-2-ylmethyl]phenol (PubChem CID 141322642) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)-pyridin-2-ylmethyl]phenol.

Molecular Properties

Compound Name4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)-pyridin-2-ylmethyl]phenol
PubChem CID141322642
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)-pyridin-2-ylmethyl]phenol
SMILESOc1ccc(C(=C2C=CC=CC2O)c2ccccn2)cc1
InChIInChI=1S/C18H15NO2/c20-14-10-8-13(9-11-14)18(16-6-3-4-12-19-16)15-5-1-2-7-17(15)21/h1-12,17,20-21H
InChIKeyMHVFOIXRVZSYRY-UHFFFAOYSA-N
XLogP3.08
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)-pyridin-2-ylmethyl]phenol?
The IUPAC name of 4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)-pyridin-2-ylmethyl]phenol (CID 141322642) is 4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)-pyridin-2-ylmethyl]phenol.
What is the SMILES notation for 4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)-pyridin-2-ylmethyl]phenol?
The canonical SMILES for 4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)-pyridin-2-ylmethyl]phenol is Oc1ccc(C(=C2C=CC=CC2O)c2ccccn2)cc1.
What is the InChIKey of 4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)-pyridin-2-ylmethyl]phenol?
The InChIKey is MHVFOIXRVZSYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c20-14-10-8-13(9-11-14)18(16-6-3-4-12-19-16)15-5-1-2-7-17(15)21/h1-12,17,20-21H.
What are the key properties of 4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)-pyridin-2-ylmethyl]phenol?
4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)-pyridin-2-ylmethyl]phenol has a molecular weight of 277.32 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)-pyridin-2-ylmethyl]phenol is sourced from PubChem (CID 141322642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).