(7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate

C15H17NO3 — CID 91617195

IUPAC(7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1ccc2ccc(O)cc2c1
InChIInChI=1S/C15H17NO3/c1-15(2,3)16-14(18)19-13-7-5-10-4-6-12(17)8-11(10)9-13/h4-9,17H,1-3H3,(H,16,18)
InChIKeyKEUZHKRQCGNQNG-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.43
Rot. Bonds1

About (7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate

(7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate (PubChem CID 91617195) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is (7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate
PubChem CID91617195
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name(7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1ccc2ccc(O)cc2c1
InChIInChI=1S/C15H17NO3/c1-15(2,3)16-14(18)19-13-7-5-10-4-6-12(17)8-11(10)9-13/h4-9,17H,1-3H3,(H,16,18)
InChIKeyKEUZHKRQCGNQNG-UHFFFAOYSA-N
XLogP3.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(7-methoxynaphthalen-2-yl) N-tert-butylcarbamate
CID 174705376
(4-hydroxyphenyl) N-tert-butylcarbamate
CID 19747177
(6-hydroxyanthracen-2-yl) acetate
CID 58800514
(3-amino-4-methylphenyl) N-tert-butylcarbamate
CID 68878688
5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate
CID 11311209
tert-butyl N-(7-hydroxynaphthalen-2-yl)carbamate
CID 59683245
(3,5-dichlorophenyl) N-tert-butylcarbamate
CID 174575887
(6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate
CID 70557557
[3-hydroxy-4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]phenyl] N-tert-butylcarbamate
CID 134471791
6-prop-1-en-2-yloxynaphthalen-2-ol
CID 58445580
(3-ethynylphenyl) N-tert-butylcarbamate
CID 174589897
[3-tert-butyl-4-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl] N-tert-butylcarbamate
CID 57471684

Frequently Asked Questions

What is the IUPAC name of (7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate?
The IUPAC name of (7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate (CID 91617195) is (7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate.
What is the SMILES notation for (7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate?
The canonical SMILES for (7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1ccc2ccc(O)cc2c1.
What is the InChIKey of (7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate?
The InChIKey is KEUZHKRQCGNQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-15(2,3)16-14(18)19-13-7-5-10-4-6-12(17)8-11(10)9-13/h4-9,17H,1-3H3,(H,16,18).
What are the key properties of (7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate?
(7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate has a molecular weight of 259.31 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate is sourced from PubChem (CID 91617195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).