CID 58761521

C15H16O2 — CID 58761521

IUPAC—
SMILES[CH]OC(C)CCOc1ccc2ccccc2c1
InChIInChI=1S/C15H16O2/c1-12(16-2)9-10-17-15-8-7-13-5-3-4-6-14(13)11-15/h2-8,11-12H,9-10H2,1H3
InChIKeyPJYSPBIQFNGTPT-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.68
Rot. Bonds5

About CID 58761521

CID 58761521 (PubChem CID 58761521) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol.

Molecular Properties

Compound NameCID 58761521
PubChem CID58761521
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name—
SMILES[CH]OC(C)CCOc1ccc2ccccc2c1
InChIInChI=1S/C15H16O2/c1-12(16-2)9-10-17-15-8-7-13-5-3-4-6-14(13)11-15/h2-8,11-12H,9-10H2,1H3
InChIKeyPJYSPBIQFNGTPT-UHFFFAOYSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione
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2-(2-methoxypropoxy)naphthalene
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2-(methylamino)-4-naphthalen-2-yloxybutanenitrile
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2-amino-4-naphthalen-2-yloxybutanenitrile
CID 55143146
methyl 2-amino-4-naphthalen-2-yloxybutanoate
CID 63041604
2-methyl-5-naphthalen-2-yloxypentanamide
CID 142457986
1-naphthalen-2-yloxypropan-2-ol
CID 2793897
2-ethoxynaphthalene
CID 118978197
methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate
CID 63041601
2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine
CID 82138221
1-(2-naphthalen-2-yloxyethylsulfanyl)propan-2-amine
CID 66218956
1-(2-iodophenyl)-3-naphthalen-2-yloxypropan-1-amine
CID 19884902

Frequently Asked Questions

What is the IUPAC name of CID 58761521?
The IUPAC name of CID 58761521 (CID 58761521) is not available.
What is the SMILES notation for CID 58761521?
The canonical SMILES for CID 58761521 is [CH]OC(C)CCOc1ccc2ccccc2c1.
What is the InChIKey of CID 58761521?
The InChIKey is PJYSPBIQFNGTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-12(16-2)9-10-17-15-8-7-13-5-3-4-6-14(13)11-15/h2-8,11-12H,9-10H2,1H3.
What are the key properties of CID 58761521?
CID 58761521 has a molecular weight of 228.29 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58761521 is sourced from PubChem (CID 58761521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).