[8-(3H-pyrrol-2-yl)naphthalen-1-yl]methanol;yttrium

C15H13NOY — CID 58299403

IUPAC[8-(3H-pyrrol-2-yl)naphthalen-1-yl]methanol;yttrium
SMILESOCc1cccc2cccc(C3=NC=CC3)c12.[Y]
InChIInChI=1S/C15H13NO.Y/c17-10-12-6-1-4-11-5-2-7-13(15(11)12)14-8-3-9-16-14;/h1-7,9,17H,8,10H2;
InChIKeyYTPUGTFAFJOVGF-UHFFFAOYSA-N
MW312.18 g/mol
LogP3.04
Rot. Bonds2

About [8-(3H-pyrrol-2-yl)naphthalen-1-yl]methanol;yttrium

[8-(3H-pyrrol-2-yl)naphthalen-1-yl]methanol;yttrium (PubChem CID 58299403) has the molecular formula C15H13NOY and a molecular weight of 312.18 g/mol. Its IUPAC name is [8-(3H-pyrrol-2-yl)naphthalen-1-yl]methanol;yttrium.

Molecular Properties

Compound Name[8-(3H-pyrrol-2-yl)naphthalen-1-yl]methanol;yttrium
PubChem CID58299403
Molecular FormulaC15H13NOY
Molecular Weight312.18 g/mol
Exact Mass312.01
IUPAC Name[8-(3H-pyrrol-2-yl)naphthalen-1-yl]methanol;yttrium
SMILESOCc1cccc2cccc(C3=NC=CC3)c12.[Y]
InChIInChI=1S/C15H13NO.Y/c17-10-12-6-1-4-11-5-2-7-13(15(11)12)14-8-3-9-16-14;/h1-7,9,17H,8,10H2;
InChIKeyYTPUGTFAFJOVGF-UHFFFAOYSA-N
XLogP3.04
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [8-(3H-pyrrol-2-yl)naphthalen-1-yl]methanol;yttrium?
The IUPAC name of [8-(3H-pyrrol-2-yl)naphthalen-1-yl]methanol;yttrium (CID 58299403) is [8-(3H-pyrrol-2-yl)naphthalen-1-yl]methanol;yttrium.
What is the SMILES notation for [8-(3H-pyrrol-2-yl)naphthalen-1-yl]methanol;yttrium?
The canonical SMILES for [8-(3H-pyrrol-2-yl)naphthalen-1-yl]methanol;yttrium is OCc1cccc2cccc(C3=NC=CC3)c12.[Y].
What is the InChIKey of [8-(3H-pyrrol-2-yl)naphthalen-1-yl]methanol;yttrium?
The InChIKey is YTPUGTFAFJOVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO.Y/c17-10-12-6-1-4-11-5-2-7-13(15(11)12)14-8-3-9-16-14;/h1-7,9,17H,8,10H2;.
What are the key properties of [8-(3H-pyrrol-2-yl)naphthalen-1-yl]methanol;yttrium?
[8-(3H-pyrrol-2-yl)naphthalen-1-yl]methanol;yttrium has a molecular weight of 312.18 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3H-pyrrol-2-yl)naphthalen-1-yl]methanol;yttrium is sourced from PubChem (CID 58299403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).