3-(4-methylnaphthalen-1-yl)oxypropan-1-ol

C14H16O2 — CID 15349996

IUPAC3-(4-methylnaphthalen-1-yl)oxypropan-1-ol
SMILESCc1ccc(OCCCO)c2ccccc12
InChIInChI=1S/C14H16O2/c1-11-7-8-14(16-10-4-9-15)13-6-3-2-5-12(11)13/h2-3,5-8,15H,4,9-10H2,1H3
InChIKeyNABKBRNWCXMEPE-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.91
Rot. Bonds4

About 3-(4-methylnaphthalen-1-yl)oxypropan-1-ol

3-(4-methylnaphthalen-1-yl)oxypropan-1-ol (PubChem CID 15349996) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(4-methylnaphthalen-1-yl)oxypropan-1-ol.

Molecular Properties

Compound Name3-(4-methylnaphthalen-1-yl)oxypropan-1-ol
PubChem CID15349996
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name3-(4-methylnaphthalen-1-yl)oxypropan-1-ol
SMILESCc1ccc(OCCCO)c2ccccc12
InChIInChI=1S/C14H16O2/c1-11-7-8-14(16-10-4-9-15)13-6-3-2-5-12(11)13/h2-3,5-8,15H,4,9-10H2,1H3
InChIKeyNABKBRNWCXMEPE-UHFFFAOYSA-N
XLogP2.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethoxy)-4-methylnaphthalene
CID 90431362
6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol
CID 107702017
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
1,4-dibutoxynaphthalene
CID 22016411
3-(4-methylnaphthalen-1-yl)oxy-1-phenylpropan-1-amine
CID 19884969
1-[2-(4-methylnaphthalen-1-yl)oxyethyl]piperidine
CID 71054217
1-(2-cyclohexylethoxy)-4-methylnaphthalene
CID 123891413
2-[(4-methylnaphthalen-1-yl)oxymethyl]aniline
CID 166926347
1-butoxynaphthalene;pentane-1,5-diol
CID 67747662
4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol
CID 135239341
2-[2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 139797700
15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylnaphthalen-1-yl)oxypropan-1-ol?
The IUPAC name of 3-(4-methylnaphthalen-1-yl)oxypropan-1-ol (CID 15349996) is 3-(4-methylnaphthalen-1-yl)oxypropan-1-ol.
What is the SMILES notation for 3-(4-methylnaphthalen-1-yl)oxypropan-1-ol?
The canonical SMILES for 3-(4-methylnaphthalen-1-yl)oxypropan-1-ol is Cc1ccc(OCCCO)c2ccccc12.
What is the InChIKey of 3-(4-methylnaphthalen-1-yl)oxypropan-1-ol?
The InChIKey is NABKBRNWCXMEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-11-7-8-14(16-10-4-9-15)13-6-3-2-5-12(11)13/h2-3,5-8,15H,4,9-10H2,1H3.
What are the key properties of 3-(4-methylnaphthalen-1-yl)oxypropan-1-ol?
3-(4-methylnaphthalen-1-yl)oxypropan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylnaphthalen-1-yl)oxypropan-1-ol is sourced from PubChem (CID 15349996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).