1-(naphthalen-2-ylmethoxy)-4-sulfanylbutan-2-ol

C15H18O2S — CID 88891115

IUPAC1-(naphthalen-2-ylmethoxy)-4-sulfanylbutan-2-ol
SMILESOC(CCS)COCc1ccc2ccccc2c1
InChIInChI=1S/C15H18O2S/c16-15(7-8-18)11-17-10-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,15-16,18H,7-8,10-11H2
InChIKeyZTIDQSVNZUMUKZ-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.04
Rot. Bonds6

About 1-(naphthalen-2-ylmethoxy)-4-sulfanylbutan-2-ol

1-(naphthalen-2-ylmethoxy)-4-sulfanylbutan-2-ol (PubChem CID 88891115) has the molecular formula C15H18O2S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-(naphthalen-2-ylmethoxy)-4-sulfanylbutan-2-ol.

Molecular Properties

Compound Name1-(naphthalen-2-ylmethoxy)-4-sulfanylbutan-2-ol
PubChem CID88891115
Molecular FormulaC15H18O2S
Molecular Weight262.37 g/mol
Exact Mass262.10
IUPAC Name1-(naphthalen-2-ylmethoxy)-4-sulfanylbutan-2-ol
SMILESOC(CCS)COCc1ccc2ccccc2c1
InChIInChI=1S/C15H18O2S/c16-15(7-8-18)11-17-10-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,15-16,18H,7-8,10-11H2
InChIKeyZTIDQSVNZUMUKZ-UHFFFAOYSA-N
XLogP3.04
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(phenanthren-3-ylmethoxy)-4-sulfanylbutan-2-ol
CID 91146621
(2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol
CID 100966821
(1S,2R)-1-(furan-2-yl)-3-(naphthalen-2-ylmethoxy)propane-1,2-diol
CID 10979416
2-(ethoxymethyl)naphthalene
CID 11063138
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
1-methoxy-3-naphthalen-2-ylpropan-2-ol
CID 105112115
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
(Z)-4-(naphthalen-2-ylmethoxy)but-2-en-1-ol
CID 53305482
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
(6S)-2-hydroxy-6-[(1R)-1-hydroxy-2-(naphthalen-2-ylmethoxy)ethyl]-2H-pyran-5-one
CID 11045248
4-[[4-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]methoxy]butane-1,3-diol
CID 138539275
(4S)-5-phenylmethoxypentane-1,4-diol
CID 13181690

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-2-ylmethoxy)-4-sulfanylbutan-2-ol?
The IUPAC name of 1-(naphthalen-2-ylmethoxy)-4-sulfanylbutan-2-ol (CID 88891115) is 1-(naphthalen-2-ylmethoxy)-4-sulfanylbutan-2-ol.
What is the SMILES notation for 1-(naphthalen-2-ylmethoxy)-4-sulfanylbutan-2-ol?
The canonical SMILES for 1-(naphthalen-2-ylmethoxy)-4-sulfanylbutan-2-ol is OC(CCS)COCc1ccc2ccccc2c1.
What is the InChIKey of 1-(naphthalen-2-ylmethoxy)-4-sulfanylbutan-2-ol?
The InChIKey is ZTIDQSVNZUMUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2S/c16-15(7-8-18)11-17-10-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,15-16,18H,7-8,10-11H2.
What are the key properties of 1-(naphthalen-2-ylmethoxy)-4-sulfanylbutan-2-ol?
1-(naphthalen-2-ylmethoxy)-4-sulfanylbutan-2-ol has a molecular weight of 262.37 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-2-ylmethoxy)-4-sulfanylbutan-2-ol is sourced from PubChem (CID 88891115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).