(3'S)-6'-methoxy-3'-phenylspiro[1,3-dithiane-2,2'-3,4-dihydrochromene]

C19H20O2S2 — CID 102346815

IUPAC(3'S)-6'-methoxy-3'-phenylspiro[1,3-dithiane-2,2'-3,4-dihydrochromene]
SMILESCOc1ccc2c(c1)C[C@@H](c1ccccc1)C1(O2)SCCCS1
InChIInChI=1S/C19H20O2S2/c1-20-16-8-9-18-15(12-16)13-17(14-6-3-2-4-7-14)19(21-18)22-10-5-11-23-19/h2-4,6-9,12,17H,5,10-11,13H2,1H3/t17-/m0/s1
InChIKeyQNXMEGSEZCPRFD-KRWDZBQOSA-N
MW344.50 g/mol
LogP4.94
Rot. Bonds2

About (3'S)-6'-methoxy-3'-phenylspiro[1,3-dithiane-2,2'-3,4-dihydrochromene]

(3'S)-6'-methoxy-3'-phenylspiro[1,3-dithiane-2,2'-3,4-dihydrochromene] (PubChem CID 102346815) has the molecular formula C19H20O2S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (3'S)-6'-methoxy-3'-phenylspiro[1,3-dithiane-2,2'-3,4-dihydrochromene].

Molecular Properties

Compound Name(3'S)-6'-methoxy-3'-phenylspiro[1,3-dithiane-2,2'-3,4-dihydrochromene]
PubChem CID102346815
Molecular FormulaC19H20O2S2
Molecular Weight344.50 g/mol
Exact Mass344.09
IUPAC Name(3'S)-6'-methoxy-3'-phenylspiro[1,3-dithiane-2,2'-3,4-dihydrochromene]
SMILESCOc1ccc2c(c1)C[C@@H](c1ccccc1)C1(O2)SCCCS1
InChIInChI=1S/C19H20O2S2/c1-20-16-8-9-18-15(12-16)13-17(14-6-3-2-4-7-14)19(21-18)22-10-5-11-23-19/h2-4,6-9,12,17H,5,10-11,13H2,1H3/t17-/m0/s1
InChIKeyQNXMEGSEZCPRFD-KRWDZBQOSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3'S)-6'-methoxy-3'-phenylspiro[1,3-dithiane-2,2'-3,4-dihydrochromene] with MolForge

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Related Compounds

6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]
CID 141173693
(2'S)-6'-methoxy-2'-methylspiro[1,3-dithiane-2,4'-2,3-dihydrochromene]
CID 88897498
2-(3-methoxyphenyl)-1,3-dithiane
CID 11276210
2-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)aniline
CID 23087080
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol
CID 23244646
6-(1,3-dithian-2-yl)-4-methoxy-2,2-diphenyl-1,3-benzodioxole
CID 10884346
6-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 118703251
7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
CID 82605158
N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide
CID 92757032
(2S,4R,5S)-7'-methoxy-2,5-diphenylspiro[1,3-dioxolane-4,2'-3,4-dihydrochromene]
CID 24858298
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729

Frequently Asked Questions

What is the IUPAC name of (3'S)-6'-methoxy-3'-phenylspiro[1,3-dithiane-2,2'-3,4-dihydrochromene]?
The IUPAC name of (3'S)-6'-methoxy-3'-phenylspiro[1,3-dithiane-2,2'-3,4-dihydrochromene] (CID 102346815) is (3'S)-6'-methoxy-3'-phenylspiro[1,3-dithiane-2,2'-3,4-dihydrochromene].
What is the SMILES notation for (3'S)-6'-methoxy-3'-phenylspiro[1,3-dithiane-2,2'-3,4-dihydrochromene]?
The canonical SMILES for (3'S)-6'-methoxy-3'-phenylspiro[1,3-dithiane-2,2'-3,4-dihydrochromene] is COc1ccc2c(c1)C[C@@H](c1ccccc1)C1(O2)SCCCS1.
What is the InChIKey of (3'S)-6'-methoxy-3'-phenylspiro[1,3-dithiane-2,2'-3,4-dihydrochromene]?
The InChIKey is QNXMEGSEZCPRFD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20O2S2/c1-20-16-8-9-18-15(12-16)13-17(14-6-3-2-4-7-14)19(21-18)22-10-5-11-23-19/h2-4,6-9,12,17H,5,10-11,13H2,1H3/t17-/m0/s1.
What are the key properties of (3'S)-6'-methoxy-3'-phenylspiro[1,3-dithiane-2,2'-3,4-dihydrochromene]?
(3'S)-6'-methoxy-3'-phenylspiro[1,3-dithiane-2,2'-3,4-dihydrochromene] has a molecular weight of 344.50 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3'S)-6'-methoxy-3'-phenylspiro[1,3-dithiane-2,2'-3,4-dihydrochromene] is sourced from PubChem (CID 102346815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).