3-methylsulfanyl-4-phenyl-1,2-dihydronaphthalene

C17H16S — CID 164667981

IUPAC3-methylsulfanyl-4-phenyl-1,2-dihydronaphthalene
SMILESCSC1=C(c2ccccc2)c2ccccc2CC1
InChIInChI=1S/C17H16S/c1-18-16-12-11-13-7-5-6-10-15(13)17(16)14-8-3-2-4-9-14/h2-10H,11-12H2,1H3
InChIKeyORJXIWGKHNYYOM-UHFFFAOYSA-N
MW252.38 g/mol
LogP4.76
Rot. Bonds2

About 3-methylsulfanyl-4-phenyl-1,2-dihydronaphthalene

3-methylsulfanyl-4-phenyl-1,2-dihydronaphthalene (PubChem CID 164667981) has the molecular formula C17H16S and a molecular weight of 252.38 g/mol. Its IUPAC name is 3-methylsulfanyl-4-phenyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-methylsulfanyl-4-phenyl-1,2-dihydronaphthalene
PubChem CID164667981
Molecular FormulaC17H16S
Molecular Weight252.38 g/mol
Exact Mass252.10
IUPAC Name3-methylsulfanyl-4-phenyl-1,2-dihydronaphthalene
SMILESCSC1=C(c2ccccc2)c2ccccc2CC1
InChIInChI=1S/C17H16S/c1-18-16-12-11-13-7-5-6-10-15(13)17(16)14-8-3-2-4-9-14/h2-10H,11-12H2,1H3
InChIKeyORJXIWGKHNYYOM-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylsulfanyl-3-phenyl-1H-indene
CID 5133022
4-[1-(1-phenyl-3,4-dihydronaphthalen-2-yl)ethyl]phenol
CID 134847471
9,10-dihydrophenanthrene;ethane
CID 143759681
4-[(1S)-1-(1-phenyl-3,4-dihydronaphthalen-2-yl)ethyl]phenol
CID 132552488
2-(1-phenyl-3,4-dihydronaphthalen-2-yl)acetic acid
CID 59227588
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
9,10-dihydrophenanthrene;methane
CID 174728506
2-cyclopropyl-3-phenyl-1H-indene
CID 134995236
7-methoxy-4-(4-methoxyphenyl)-3-phenylsulfanyl-1,2-dihydronaphthalene
CID 11689312
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 134854372
chloro-dimethyl-(3-phenyl-1H-inden-2-yl)silane
CID 142448788
9,10-dihydrophenanthrene;phenanthrene
CID 159340402

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-4-phenyl-1,2-dihydronaphthalene?
The IUPAC name of 3-methylsulfanyl-4-phenyl-1,2-dihydronaphthalene (CID 164667981) is 3-methylsulfanyl-4-phenyl-1,2-dihydronaphthalene.
What is the SMILES notation for 3-methylsulfanyl-4-phenyl-1,2-dihydronaphthalene?
The canonical SMILES for 3-methylsulfanyl-4-phenyl-1,2-dihydronaphthalene is CSC1=C(c2ccccc2)c2ccccc2CC1.
What is the InChIKey of 3-methylsulfanyl-4-phenyl-1,2-dihydronaphthalene?
The InChIKey is ORJXIWGKHNYYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16S/c1-18-16-12-11-13-7-5-6-10-15(13)17(16)14-8-3-2-4-9-14/h2-10H,11-12H2,1H3.
What are the key properties of 3-methylsulfanyl-4-phenyl-1,2-dihydronaphthalene?
3-methylsulfanyl-4-phenyl-1,2-dihydronaphthalene has a molecular weight of 252.38 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-4-phenyl-1,2-dihydronaphthalene is sourced from PubChem (CID 164667981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).