2-amino-4-phenylmethoxycyclohexa-1,3-dien-1-ol

C13H15NO2 — CID 173155015

IUPAC2-amino-4-phenylmethoxycyclohexa-1,3-dien-1-ol
SMILESNC1=C(O)CCC(OCc2ccccc2)=C1
InChIInChI=1S/C13H15NO2/c14-12-8-11(6-7-13(12)15)16-9-10-4-2-1-3-5-10/h1-5,8,15H,6-7,9,14H2
InChIKeyOREWBPRJEVQMJR-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.61
Rot. Bonds3

About 2-amino-4-phenylmethoxycyclohexa-1,3-dien-1-ol

2-amino-4-phenylmethoxycyclohexa-1,3-dien-1-ol (PubChem CID 173155015) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-amino-4-phenylmethoxycyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2-amino-4-phenylmethoxycyclohexa-1,3-dien-1-ol
PubChem CID173155015
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-amino-4-phenylmethoxycyclohexa-1,3-dien-1-ol
SMILESNC1=C(O)CCC(OCc2ccccc2)=C1
InChIInChI=1S/C13H15NO2/c14-12-8-11(6-7-13(12)15)16-9-10-4-2-1-3-5-10/h1-5,8,15H,6-7,9,14H2
InChIKeyOREWBPRJEVQMJR-UHFFFAOYSA-N
XLogP2.61
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenylmethoxycyclohexa-1,3-dien-1-ol?
The IUPAC name of 2-amino-4-phenylmethoxycyclohexa-1,3-dien-1-ol (CID 173155015) is 2-amino-4-phenylmethoxycyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2-amino-4-phenylmethoxycyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2-amino-4-phenylmethoxycyclohexa-1,3-dien-1-ol is NC1=C(O)CCC(OCc2ccccc2)=C1.
What is the InChIKey of 2-amino-4-phenylmethoxycyclohexa-1,3-dien-1-ol?
The InChIKey is OREWBPRJEVQMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c14-12-8-11(6-7-13(12)15)16-9-10-4-2-1-3-5-10/h1-5,8,15H,6-7,9,14H2.
What are the key properties of 2-amino-4-phenylmethoxycyclohexa-1,3-dien-1-ol?
2-amino-4-phenylmethoxycyclohexa-1,3-dien-1-ol has a molecular weight of 217.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenylmethoxycyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 173155015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).