1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol

C14H16O3 — CID 14692873

IUPAC1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol
SMILESCOc1ccc(OCC(C)O)c2ccccc12
InChIInChI=1S/C14H16O3/c1-10(15)9-17-14-8-7-13(16-2)11-5-3-4-6-12(11)14/h3-8,10,15H,9H2,1-2H3
InChIKeyDQSQEOBOTBHNPH-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.61
Rot. Bonds4

About 1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol

1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol (PubChem CID 14692873) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol
PubChem CID14692873
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol
SMILESCOc1ccc(OCC(C)O)c2ccccc12
InChIInChI=1S/C14H16O3/c1-10(15)9-17-14-8-7-13(16-2)11-5-3-4-6-12(11)14/h3-8,10,15H,9H2,1-2H3
InChIKeyDQSQEOBOTBHNPH-UHFFFAOYSA-N
XLogP2.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 3015023
1-[4-(2-hydroxypropoxy)naphthalen-1-yl]propan-1-one
CID 3031026
1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol
CID 171606885
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
1-[2-(2-hydroxypropoxy)-3-propan-2-ylphenoxy]propan-2-ol
CID 70257294
1-[4-(propan-2-ylsulfamoylamino)naphthalen-1-yl]oxypropan-2-ol
CID 175193230
1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol
CID 60888861
1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol
CID 139797710
1-[2-methoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60887437
2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde
CID 60884344
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol?
The IUPAC name of 1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol (CID 14692873) is 1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol.
What is the SMILES notation for 1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol?
The canonical SMILES for 1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol is COc1ccc(OCC(C)O)c2ccccc12.
What is the InChIKey of 1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol?
The InChIKey is DQSQEOBOTBHNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-10(15)9-17-14-8-7-13(16-2)11-5-3-4-6-12(11)14/h3-8,10,15H,9H2,1-2H3.
What are the key properties of 1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol?
1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol has a molecular weight of 232.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol is sourced from PubChem (CID 14692873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).