2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one

C13H16O2 — CID 79429583

IUPAC2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1CCCO
InChIInChI=1S/C13H16O2/c14-9-3-5-11-8-7-10-4-1-2-6-12(10)13(11)15/h1-2,4,6,11,14H,3,5,7-9H2
InChIKeyQIFYJJGIDKOVLL-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.20
Rot. Bonds3

About 2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one

2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 79429583) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID79429583
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1CCCO
InChIInChI=1S/C13H16O2/c14-9-3-5-11-8-7-10-4-1-2-6-12(10)13(11)15/h1-2,4,6,11,14H,3,5,7-9H2
InChIKeyQIFYJJGIDKOVLL-UHFFFAOYSA-N
XLogP2.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one (CID 79429583) is 2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccccc2CCC1CCCO.
What is the InChIKey of 2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is QIFYJJGIDKOVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c14-9-3-5-11-8-7-10-4-1-2-6-12(10)13(11)15/h1-2,4,6,11,14H,3,5,7-9H2.
What are the key properties of 2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one?
2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 204.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 79429583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).