[4-(1,3-dihydroisoindol-2-yl)phenyl]methanol

C15H15NO — CID 62206101

IUPAC[4-(1,3-dihydroisoindol-2-yl)phenyl]methanol
SMILESOCc1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C15H15NO/c17-11-12-5-7-15(8-6-12)16-9-13-3-1-2-4-14(13)10-16/h1-8,17H,9-11H2
InChIKeyOUWITPRXJIXERV-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.70
Rot. Bonds2

About [4-(1,3-dihydroisoindol-2-yl)phenyl]methanol

[4-(1,3-dihydroisoindol-2-yl)phenyl]methanol (PubChem CID 62206101) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is [4-(1,3-dihydroisoindol-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(1,3-dihydroisoindol-2-yl)phenyl]methanol
PubChem CID62206101
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name[4-(1,3-dihydroisoindol-2-yl)phenyl]methanol
SMILESOCc1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C15H15NO/c17-11-12-5-7-15(8-6-12)16-9-13-3-1-2-4-14(13)10-16/h1-8,17H,9-11H2
InChIKeyOUWITPRXJIXERV-UHFFFAOYSA-N
XLogP2.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dihydroisoindol-2-yl)phenyl]methanol?
The IUPAC name of [4-(1,3-dihydroisoindol-2-yl)phenyl]methanol (CID 62206101) is [4-(1,3-dihydroisoindol-2-yl)phenyl]methanol.
What is the SMILES notation for [4-(1,3-dihydroisoindol-2-yl)phenyl]methanol?
The canonical SMILES for [4-(1,3-dihydroisoindol-2-yl)phenyl]methanol is OCc1ccc(N2Cc3ccccc3C2)cc1.
What is the InChIKey of [4-(1,3-dihydroisoindol-2-yl)phenyl]methanol?
The InChIKey is OUWITPRXJIXERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c17-11-12-5-7-15(8-6-12)16-9-13-3-1-2-4-14(13)10-16/h1-8,17H,9-11H2.
What are the key properties of [4-(1,3-dihydroisoindol-2-yl)phenyl]methanol?
[4-(1,3-dihydroisoindol-2-yl)phenyl]methanol has a molecular weight of 225.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dihydroisoindol-2-yl)phenyl]methanol is sourced from PubChem (CID 62206101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).