1-[3-(naphthalen-1-ylmethylsulfanyl)phenyl]ethanol

C19H18OS — CID 64664899

IUPAC1-[3-(naphthalen-1-ylmethylsulfanyl)phenyl]ethanol
SMILESCC(O)c1cccc(SCc2cccc3ccccc23)c1
InChIInChI=1S/C19H18OS/c1-14(20)16-8-5-10-18(12-16)21-13-17-9-4-7-15-6-2-3-11-19(15)17/h2-12,14,20H,13H2,1H3
InChIKeyBUBXWPLQBJQSRV-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.19
Rot. Bonds4

About 1-[3-(naphthalen-1-ylmethylsulfanyl)phenyl]ethanol

1-[3-(naphthalen-1-ylmethylsulfanyl)phenyl]ethanol (PubChem CID 64664899) has the molecular formula C19H18OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[3-(naphthalen-1-ylmethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-(naphthalen-1-ylmethylsulfanyl)phenyl]ethanol
PubChem CID64664899
Molecular FormulaC19H18OS
Molecular Weight294.42 g/mol
Exact Mass294.11
IUPAC Name1-[3-(naphthalen-1-ylmethylsulfanyl)phenyl]ethanol
SMILESCC(O)c1cccc(SCc2cccc3ccccc23)c1
InChIInChI=1S/C19H18OS/c1-14(20)16-8-5-10-18(12-16)21-13-17-9-4-7-15-6-2-3-11-19(15)17/h2-12,14,20H,13H2,1H3
InChIKeyBUBXWPLQBJQSRV-UHFFFAOYSA-N
XLogP5.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.42
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(1-hydroxyethyl)phenyl]sulfanylmethyl]benzonitrile
CID 64664051
1-[3-(pyrimidin-2-ylmethylsulfanyl)phenyl]ethanol
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1-[3-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]ethanol
CID 64666153
1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol
CID 105409441
(1R)-1-(3-propylsulfanylphenyl)ethanol
CID 96718323
1-[3-(2-phenylethylsulfanyl)phenyl]ethanol
CID 64665944
1-[3-[(4-bromo-2-nitrophenyl)methylsulfanyl]phenyl]ethanol
CID 114382675
1-(3-but-2-enylsulfanylphenyl)ethanol
CID 77055275
2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665949
3-[[3-(1-hydroxyethyl)phenyl]sulfanylmethyl]benzonitrile
CID 64665540
1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol
CID 64665733
1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]ethanol
CID 64666367

Frequently Asked Questions

What is the IUPAC name of 1-[3-(naphthalen-1-ylmethylsulfanyl)phenyl]ethanol?
The IUPAC name of 1-[3-(naphthalen-1-ylmethylsulfanyl)phenyl]ethanol (CID 64664899) is 1-[3-(naphthalen-1-ylmethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 1-[3-(naphthalen-1-ylmethylsulfanyl)phenyl]ethanol?
The canonical SMILES for 1-[3-(naphthalen-1-ylmethylsulfanyl)phenyl]ethanol is CC(O)c1cccc(SCc2cccc3ccccc23)c1.
What is the InChIKey of 1-[3-(naphthalen-1-ylmethylsulfanyl)phenyl]ethanol?
The InChIKey is BUBXWPLQBJQSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18OS/c1-14(20)16-8-5-10-18(12-16)21-13-17-9-4-7-15-6-2-3-11-19(15)17/h2-12,14,20H,13H2,1H3.
What are the key properties of 1-[3-(naphthalen-1-ylmethylsulfanyl)phenyl]ethanol?
1-[3-(naphthalen-1-ylmethylsulfanyl)phenyl]ethanol has a molecular weight of 294.42 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(naphthalen-1-ylmethylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 64664899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).