4-(naphthalen-2-ylmethylsulfanyl)phenol

C17H14OS — CID 175432279

IUPAC4-(naphthalen-2-ylmethylsulfanyl)phenol
SMILESOc1ccc(SCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H14OS/c18-16-7-9-17(10-8-16)19-12-13-5-6-14-3-1-2-4-15(14)11-13/h1-11,18H,12H2
InChIKeyBZNDBCDOMASPGY-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.84
Rot. Bonds3

About 4-(naphthalen-2-ylmethylsulfanyl)phenol

4-(naphthalen-2-ylmethylsulfanyl)phenol (PubChem CID 175432279) has the molecular formula C17H14OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-(naphthalen-2-ylmethylsulfanyl)phenol.

Molecular Properties

Compound Name4-(naphthalen-2-ylmethylsulfanyl)phenol
PubChem CID175432279
Molecular FormulaC17H14OS
Molecular Weight266.37 g/mol
Exact Mass266.08
IUPAC Name4-(naphthalen-2-ylmethylsulfanyl)phenol
SMILESOc1ccc(SCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H14OS/c18-16-7-9-17(10-8-16)19-12-13-5-6-14-3-1-2-4-15(14)11-13/h1-11,18H,12H2
InChIKeyBZNDBCDOMASPGY-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(bromomethyl)phenyl]sulfanylmethyl]naphthalene
CID 172559837
2-chloro-5-(naphthalen-2-ylsulfanylmethyl)aniline
CID 43519160
bis(1,4-diethylbenzene);tris(naphthalen-2-ol)
CID 90749949
4-[[4-[(hydroxyamino)methyl]phenyl]methylsulfanyl]phenol
CID 88915543
naphthalen-2-ol
CID 71750931
4-[(3-bromo-4-methoxyphenyl)methylsulfanyl]phenol
CID 54970698
3,5-bis(2-naphthalen-2-ylethyl)phenol
CID 171715370
4-[(4-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 47262874
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
CID 69280188
CID 69280188
4-[(naphthalen-2-ylamino)methyl]phenol
CID 13418576
4-[[2-aminoethyl(naphthalen-2-ylmethyl)amino]methyl]phenol
CID 102493799

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-ylmethylsulfanyl)phenol?
The IUPAC name of 4-(naphthalen-2-ylmethylsulfanyl)phenol (CID 175432279) is 4-(naphthalen-2-ylmethylsulfanyl)phenol.
What is the SMILES notation for 4-(naphthalen-2-ylmethylsulfanyl)phenol?
The canonical SMILES for 4-(naphthalen-2-ylmethylsulfanyl)phenol is Oc1ccc(SCc2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-(naphthalen-2-ylmethylsulfanyl)phenol?
The InChIKey is BZNDBCDOMASPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14OS/c18-16-7-9-17(10-8-16)19-12-13-5-6-14-3-1-2-4-15(14)11-13/h1-11,18H,12H2.
What are the key properties of 4-(naphthalen-2-ylmethylsulfanyl)phenol?
4-(naphthalen-2-ylmethylsulfanyl)phenol has a molecular weight of 266.37 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-ylmethylsulfanyl)phenol is sourced from PubChem (CID 175432279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).