4-[(cyclopent-3-en-1-ylamino)-phenylmethyl]phenol

C18H19NO — CID 115972607

IUPAC4-[(cyclopent-3-en-1-ylamino)-phenylmethyl]phenol
SMILESOc1ccc(C(NC2CC=CC2)c2ccccc2)cc1
InChIInChI=1S/C18H19NO/c20-17-12-10-15(11-13-17)18(14-6-2-1-3-7-14)19-16-8-4-5-9-16/h1-7,10-13,16,18-20H,8-9H2
InChIKeyZSIKUNDUNDIOFX-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.79
Rot. Bonds4

About 4-[(cyclopent-3-en-1-ylamino)-phenylmethyl]phenol

4-[(cyclopent-3-en-1-ylamino)-phenylmethyl]phenol (PubChem CID 115972607) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(cyclopent-3-en-1-ylamino)-phenylmethyl]phenol.

Molecular Properties

Compound Name4-[(cyclopent-3-en-1-ylamino)-phenylmethyl]phenol
PubChem CID115972607
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name4-[(cyclopent-3-en-1-ylamino)-phenylmethyl]phenol
SMILESOc1ccc(C(NC2CC=CC2)c2ccccc2)cc1
InChIInChI=1S/C18H19NO/c20-17-12-10-15(11-13-17)18(14-6-2-1-3-7-14)19-16-8-4-5-9-16/h1-7,10-13,16,18-20H,8-9H2
InChIKeyZSIKUNDUNDIOFX-UHFFFAOYSA-N
XLogP3.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopent-3-en-1-ylamino)-phenylmethyl]phenol?
The IUPAC name of 4-[(cyclopent-3-en-1-ylamino)-phenylmethyl]phenol (CID 115972607) is 4-[(cyclopent-3-en-1-ylamino)-phenylmethyl]phenol.
What is the SMILES notation for 4-[(cyclopent-3-en-1-ylamino)-phenylmethyl]phenol?
The canonical SMILES for 4-[(cyclopent-3-en-1-ylamino)-phenylmethyl]phenol is Oc1ccc(C(NC2CC=CC2)c2ccccc2)cc1.
What is the InChIKey of 4-[(cyclopent-3-en-1-ylamino)-phenylmethyl]phenol?
The InChIKey is ZSIKUNDUNDIOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c20-17-12-10-15(11-13-17)18(14-6-2-1-3-7-14)19-16-8-4-5-9-16/h1-7,10-13,16,18-20H,8-9H2.
What are the key properties of 4-[(cyclopent-3-en-1-ylamino)-phenylmethyl]phenol?
4-[(cyclopent-3-en-1-ylamino)-phenylmethyl]phenol has a molecular weight of 265.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopent-3-en-1-ylamino)-phenylmethyl]phenol is sourced from PubChem (CID 115972607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).