7-methoxy-4-(4-methoxyphenyl)-3-phenylsulfanyl-1,2-dihydronaphthalene

C24H22O2S — CID 11689312

IUPAC7-methoxy-4-(4-methoxyphenyl)-3-phenylsulfanyl-1,2-dihydronaphthalene
SMILESCOc1ccc(C2=C(Sc3ccccc3)CCc3cc(OC)ccc32)cc1
InChIInChI=1S/C24H22O2S/c1-25-19-11-8-17(9-12-19)24-22-14-13-20(26-2)16-18(22)10-15-23(24)27-21-6-4-3-5-7-21/h3-9,11-14,16H,10,15H2,1-2H3
InChIKeyOWQADVWSBIHPGG-UHFFFAOYSA-N
MW374.51 g/mol
LogP6.20
Rot. Bonds5

About 7-methoxy-4-(4-methoxyphenyl)-3-phenylsulfanyl-1,2-dihydronaphthalene

7-methoxy-4-(4-methoxyphenyl)-3-phenylsulfanyl-1,2-dihydronaphthalene (PubChem CID 11689312) has the molecular formula C24H22O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 7-methoxy-4-(4-methoxyphenyl)-3-phenylsulfanyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-methoxy-4-(4-methoxyphenyl)-3-phenylsulfanyl-1,2-dihydronaphthalene
PubChem CID11689312
Molecular FormulaC24H22O2S
Molecular Weight374.51 g/mol
Exact Mass374.13
IUPAC Name7-methoxy-4-(4-methoxyphenyl)-3-phenylsulfanyl-1,2-dihydronaphthalene
SMILESCOc1ccc(C2=C(Sc3ccccc3)CCc3cc(OC)ccc32)cc1
InChIInChI=1S/C24H22O2S/c1-25-19-11-8-17(9-12-19)24-22-14-13-20(26-2)16-18(22)10-15-23(24)27-21-6-4-3-5-7-21/h3-9,11-14,16H,10,15H2,1-2H3
InChIKeyOWQADVWSBIHPGG-UHFFFAOYSA-N
XLogP6.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,19-dimethoxy-13-phenyl-2-oxoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene
CID 27017806
3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene
CID 101491428
3-bromo-4-(4-methoxysulfanylphenyl)-7-phenylmethoxy-1,2-dihydronaphthalene
CID 134579928
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2-methoxy-6-phenylnaphthalene
CID 11253308
5-(4-methoxyphenyl)-2,3-dihydroinden-1-one
CID 11149112
7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
CID 134107340
methyl 6-methoxy-3-(4-methoxyphenyl)-1H-indene-2-carboxylate
CID 20616859
7-methoxy-9,10-dihydrophenanthrene-1,4-dione
CID 23251755
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008
7,19-dimethoxy-13-phenyl-2-oxoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene perchlorate
CID 43833401

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(4-methoxyphenyl)-3-phenylsulfanyl-1,2-dihydronaphthalene?
The IUPAC name of 7-methoxy-4-(4-methoxyphenyl)-3-phenylsulfanyl-1,2-dihydronaphthalene (CID 11689312) is 7-methoxy-4-(4-methoxyphenyl)-3-phenylsulfanyl-1,2-dihydronaphthalene.
What is the SMILES notation for 7-methoxy-4-(4-methoxyphenyl)-3-phenylsulfanyl-1,2-dihydronaphthalene?
The canonical SMILES for 7-methoxy-4-(4-methoxyphenyl)-3-phenylsulfanyl-1,2-dihydronaphthalene is COc1ccc(C2=C(Sc3ccccc3)CCc3cc(OC)ccc32)cc1.
What is the InChIKey of 7-methoxy-4-(4-methoxyphenyl)-3-phenylsulfanyl-1,2-dihydronaphthalene?
The InChIKey is OWQADVWSBIHPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O2S/c1-25-19-11-8-17(9-12-19)24-22-14-13-20(26-2)16-18(22)10-15-23(24)27-21-6-4-3-5-7-21/h3-9,11-14,16H,10,15H2,1-2H3.
What are the key properties of 7-methoxy-4-(4-methoxyphenyl)-3-phenylsulfanyl-1,2-dihydronaphthalene?
7-methoxy-4-(4-methoxyphenyl)-3-phenylsulfanyl-1,2-dihydronaphthalene has a molecular weight of 374.51 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(4-methoxyphenyl)-3-phenylsulfanyl-1,2-dihydronaphthalene is sourced from PubChem (CID 11689312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).