2-[(E)-hydroxyiminomethyl]-4-(4-methylidenecyclohexyl)phenol

C14H17NO2 — CID 137287868

IUPAC2-[(E)-hydroxyiminomethyl]-4-(4-methylidenecyclohexyl)phenol
SMILESC=C1CCC(c2ccc(O)c(/C=N/O)c2)CC1
InChIInChI=1S/C14H17NO2/c1-10-2-4-11(5-3-10)12-6-7-14(16)13(8-12)9-15-17/h6-9,11,16-17H,1-5H2/b15-9+
InChIKeyYCPBHCDBKYITDG-OQLLNIDSSA-N
MW231.30 g/mol
LogP3.41
Rot. Bonds2

About 2-[(E)-hydroxyiminomethyl]-4-(4-methylidenecyclohexyl)phenol

2-[(E)-hydroxyiminomethyl]-4-(4-methylidenecyclohexyl)phenol (PubChem CID 137287868) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[(E)-hydroxyiminomethyl]-4-(4-methylidenecyclohexyl)phenol.

Molecular Properties

Compound Name2-[(E)-hydroxyiminomethyl]-4-(4-methylidenecyclohexyl)phenol
PubChem CID137287868
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-[(E)-hydroxyiminomethyl]-4-(4-methylidenecyclohexyl)phenol
SMILESC=C1CCC(c2ccc(O)c(/C=N/O)c2)CC1
InChIInChI=1S/C14H17NO2/c1-10-2-4-11(5-3-10)12-6-7-14(16)13(8-12)9-15-17/h6-9,11,16-17H,1-5H2/b15-9+
InChIKeyYCPBHCDBKYITDG-OQLLNIDSSA-N
XLogP3.41
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hydroxyiminomethyl]-4-(4-methylidenecyclohexyl)phenol?
The IUPAC name of 2-[(E)-hydroxyiminomethyl]-4-(4-methylidenecyclohexyl)phenol (CID 137287868) is 2-[(E)-hydroxyiminomethyl]-4-(4-methylidenecyclohexyl)phenol.
What is the SMILES notation for 2-[(E)-hydroxyiminomethyl]-4-(4-methylidenecyclohexyl)phenol?
The canonical SMILES for 2-[(E)-hydroxyiminomethyl]-4-(4-methylidenecyclohexyl)phenol is C=C1CCC(c2ccc(O)c(/C=N/O)c2)CC1.
What is the InChIKey of 2-[(E)-hydroxyiminomethyl]-4-(4-methylidenecyclohexyl)phenol?
The InChIKey is YCPBHCDBKYITDG-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10-2-4-11(5-3-10)12-6-7-14(16)13(8-12)9-15-17/h6-9,11,16-17H,1-5H2/b15-9+.
What are the key properties of 2-[(E)-hydroxyiminomethyl]-4-(4-methylidenecyclohexyl)phenol?
2-[(E)-hydroxyiminomethyl]-4-(4-methylidenecyclohexyl)phenol has a molecular weight of 231.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hydroxyiminomethyl]-4-(4-methylidenecyclohexyl)phenol is sourced from PubChem (CID 137287868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).