1-dodecylsulfanyl-4-methoxynaphthalene

C23H34OS — CID 71335030

IUPAC1-dodecylsulfanyl-4-methoxynaphthalene
SMILESCCCCCCCCCCCCSc1ccc(OC)c2ccccc12
InChIInChI=1S/C23H34OS/c1-3-4-5-6-7-8-9-10-11-14-19-25-23-18-17-22(24-2)20-15-12-13-16-21(20)23/h12-13,15-18H,3-11,14,19H2,1-2H3
InChIKeyMIPXUMOCGFPLCS-UHFFFAOYSA-N
MW358.59 g/mol
LogP7.86
Rot. Bonds13

About 1-dodecylsulfanyl-4-methoxynaphthalene

1-dodecylsulfanyl-4-methoxynaphthalene (PubChem CID 71335030) has the molecular formula C23H34OS and a molecular weight of 358.59 g/mol. Its IUPAC name is 1-dodecylsulfanyl-4-methoxynaphthalene.

Molecular Properties

Compound Name1-dodecylsulfanyl-4-methoxynaphthalene
PubChem CID71335030
Molecular FormulaC23H34OS
Molecular Weight358.59 g/mol
Exact Mass358.23
IUPAC Name1-dodecylsulfanyl-4-methoxynaphthalene
SMILESCCCCCCCCCCCCSc1ccc(OC)c2ccccc12
InChIInChI=1S/C23H34OS/c1-3-4-5-6-7-8-9-10-11-14-19-25-23-18-17-22(24-2)20-15-12-13-16-21(20)23/h12-13,15-18H,3-11,14,19H2,1-2H3
InChIKeyMIPXUMOCGFPLCS-UHFFFAOYSA-N
XLogP7.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.59
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-heptylsulfanyl-2-methoxynaphthalene
CID 10755818
1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene
CID 14147524
1,2-bis(tricosylsulfanyl)benzene
CID 91011021
4-decylsulfanyl-3-methoxyaniline
CID 79829813
4-hexylsulfanyl-3-methoxyaniline
CID 79830446
1-(4-methoxynaphthalen-1-yl)octan-1-ol
CID 63426458
4-[4-(2-methoxyethoxy)naphthalen-1-yl]sulfanylbutan-1-amine
CID 129309042
2,13-bis(decylsulfanyl)tricyclo[12.8.0.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 154692254
(4-pentylsulfanylnaphthalen-1-yl) 3H-indene-1-carboxylate
CID 129046871
1-methyl-2-undecylsulfanylbenzene
CID 173415196
2-tetracosylsulfanylphenol
CID 139712021
1-butylsulfanyl-2,3-dimethoxy-4-methylbenzene
CID 118335121

Frequently Asked Questions

What is the IUPAC name of 1-dodecylsulfanyl-4-methoxynaphthalene?
The IUPAC name of 1-dodecylsulfanyl-4-methoxynaphthalene (CID 71335030) is 1-dodecylsulfanyl-4-methoxynaphthalene.
What is the SMILES notation for 1-dodecylsulfanyl-4-methoxynaphthalene?
The canonical SMILES for 1-dodecylsulfanyl-4-methoxynaphthalene is CCCCCCCCCCCCSc1ccc(OC)c2ccccc12.
What is the InChIKey of 1-dodecylsulfanyl-4-methoxynaphthalene?
The InChIKey is MIPXUMOCGFPLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34OS/c1-3-4-5-6-7-8-9-10-11-14-19-25-23-18-17-22(24-2)20-15-12-13-16-21(20)23/h12-13,15-18H,3-11,14,19H2,1-2H3.
What are the key properties of 1-dodecylsulfanyl-4-methoxynaphthalene?
1-dodecylsulfanyl-4-methoxynaphthalene has a molecular weight of 358.59 g/mol, XLogP of 7.86, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecylsulfanyl-4-methoxynaphthalene is sourced from PubChem (CID 71335030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).