2-butoxy-6-methylnaphthalene

C15H18O — CID 58718847

IUPAC2-butoxy-6-methylnaphthalene
SMILESCCCCOc1ccc2cc(C)ccc2c1
InChIInChI=1S/C15H18O/c1-3-4-9-16-15-8-7-13-10-12(2)5-6-14(13)11-15/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyGBMVUKDHXDUPDK-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.33
Rot. Bonds4

About 2-butoxy-6-methylnaphthalene

2-butoxy-6-methylnaphthalene (PubChem CID 58718847) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-butoxy-6-methylnaphthalene.

Molecular Properties

Compound Name2-butoxy-6-methylnaphthalene
PubChem CID58718847
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name2-butoxy-6-methylnaphthalene
SMILESCCCCOc1ccc2cc(C)ccc2c1
InChIInChI=1S/C15H18O/c1-3-4-9-16-15-8-7-13-10-12(2)5-6-14(13)11-15/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyGBMVUKDHXDUPDK-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(9-bromononoxy)-6-methylnaphthalene
CID 118670324
7-hexoxy-17-methyl-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 140901513
7-decoxy-17-methyl-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 140901505
2-(butoxymethyl)-6-methylnaphthalene
CID 58718918
1,4-bis(4-decoxyphenyl)-2,5-dimethylbenzene;2,6-dimethylnaphthalene;ethane
CID 160801660
2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996
2,6-bis(6-hexoxynaphthalen-2-yl)anthracene
CID 102033937
1-hexadecoxy-3-methylbenzene
CID 154641790
1-methyl-3-pentadecoxybenzene
CID 154641822
6-butoxy-2-methyl-1H-indole
CID 154112736
2-butoxy-7-fluorophenanthrene
CID 18377931
2-octoxy-6-[2-(6-octoxynaphthalen-2-yl)ethynyl]naphthalene
CID 102591581

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-6-methylnaphthalene?
The IUPAC name of 2-butoxy-6-methylnaphthalene (CID 58718847) is 2-butoxy-6-methylnaphthalene.
What is the SMILES notation for 2-butoxy-6-methylnaphthalene?
The canonical SMILES for 2-butoxy-6-methylnaphthalene is CCCCOc1ccc2cc(C)ccc2c1.
What is the InChIKey of 2-butoxy-6-methylnaphthalene?
The InChIKey is GBMVUKDHXDUPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-3-4-9-16-15-8-7-13-10-12(2)5-6-14(13)11-15/h5-8,10-11H,3-4,9H2,1-2H3.
What are the key properties of 2-butoxy-6-methylnaphthalene?
2-butoxy-6-methylnaphthalene has a molecular weight of 214.31 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-6-methylnaphthalene is sourced from PubChem (CID 58718847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).