(4-isocyanonaphthalen-1-yl)methanol

C12H9NO — CID 165169506

IUPAC(4-isocyanonaphthalen-1-yl)methanol
SMILES[C-]#[N+]c1ccc(CO)c2ccccc12
InChIInChI=1S/C12H9NO/c1-13-12-7-6-9(8-14)10-4-2-3-5-11(10)12/h2-7,14H,8H2
InChIKeyXJZURAXRBZRDQR-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.88
Rot. Bonds1

About (4-isocyanonaphthalen-1-yl)methanol

(4-isocyanonaphthalen-1-yl)methanol (PubChem CID 165169506) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is (4-isocyanonaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(4-isocyanonaphthalen-1-yl)methanol
PubChem CID165169506
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name(4-isocyanonaphthalen-1-yl)methanol
SMILES[C-]#[N+]c1ccc(CO)c2ccccc12
InChIInChI=1S/C12H9NO/c1-13-12-7-6-9(8-14)10-4-2-3-5-11(10)12/h2-7,14H,8H2
InChIKeyXJZURAXRBZRDQR-UHFFFAOYSA-N
XLogP2.88
TPSA24.59 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-isocyanonaphthalen-1-yl)methanol?
The IUPAC name of (4-isocyanonaphthalen-1-yl)methanol (CID 165169506) is (4-isocyanonaphthalen-1-yl)methanol.
What is the SMILES notation for (4-isocyanonaphthalen-1-yl)methanol?
The canonical SMILES for (4-isocyanonaphthalen-1-yl)methanol is [C-]#[N+]c1ccc(CO)c2ccccc12.
What is the InChIKey of (4-isocyanonaphthalen-1-yl)methanol?
The InChIKey is XJZURAXRBZRDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c1-13-12-7-6-9(8-14)10-4-2-3-5-11(10)12/h2-7,14H,8H2.
What are the key properties of (4-isocyanonaphthalen-1-yl)methanol?
(4-isocyanonaphthalen-1-yl)methanol has a molecular weight of 183.21 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-isocyanonaphthalen-1-yl)methanol is sourced from PubChem (CID 165169506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).