7-methoxy-2-phenyl-4H-thiochromene

C16H14OS — CID 12957318

IUPAC7-methoxy-2-phenyl-4H-thiochromene
SMILESCOc1ccc2c(c1)SC(c1ccccc1)=CC2
InChIInChI=1S/C16H14OS/c1-17-14-9-7-13-8-10-15(18-16(13)11-14)12-5-3-2-4-6-12/h2-7,9-11H,8H2,1H3
InChIKeyBHEAWISSBCXERA-UHFFFAOYSA-N
MW254.35 g/mol
LogP4.38
Rot. Bonds2

About 7-methoxy-2-phenyl-4H-thiochromene

7-methoxy-2-phenyl-4H-thiochromene (PubChem CID 12957318) has the molecular formula C16H14OS and a molecular weight of 254.35 g/mol. Its IUPAC name is 7-methoxy-2-phenyl-4H-thiochromene.

Molecular Properties

Compound Name7-methoxy-2-phenyl-4H-thiochromene
PubChem CID12957318
Molecular FormulaC16H14OS
Molecular Weight254.35 g/mol
Exact Mass254.08
IUPAC Name7-methoxy-2-phenyl-4H-thiochromene
SMILESCOc1ccc2c(c1)SC(c1ccccc1)=CC2
InChIInChI=1S/C16H14OS/c1-17-14-9-7-13-8-10-15(18-16(13)11-14)12-5-3-2-4-6-12/h2-7,9-11H,8H2,1H3
InChIKeyBHEAWISSBCXERA-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-methoxy-2-phenyl-4H-thiochromene
CID 13248529
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2,8-dimethoxythianthrene
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2-methoxy-6H-benzo[b][1]benzothiepin-5-one
CID 13154001
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2-methoxy-6-phenylnaphthalene
CID 11253308
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
4-methoxy-2-phenyl-1-propan-2-ylbenzene
CID 118344819
1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
CID 13444266
9-methoxy-2-phenyl-5,6-dihydrobenzo[f]isoquinoline
CID 102237047
2-(3,4-dimethoxyphenyl)-6-methoxy-1,4-dihydronaphthalene
CID 57256243
6-methoxy-1-phenyl-2,3-dihydroinden-1-amine
CID 79374582

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-phenyl-4H-thiochromene?
The IUPAC name of 7-methoxy-2-phenyl-4H-thiochromene (CID 12957318) is 7-methoxy-2-phenyl-4H-thiochromene.
What is the SMILES notation for 7-methoxy-2-phenyl-4H-thiochromene?
The canonical SMILES for 7-methoxy-2-phenyl-4H-thiochromene is COc1ccc2c(c1)SC(c1ccccc1)=CC2.
What is the InChIKey of 7-methoxy-2-phenyl-4H-thiochromene?
The InChIKey is BHEAWISSBCXERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14OS/c1-17-14-9-7-13-8-10-15(18-16(13)11-14)12-5-3-2-4-6-12/h2-7,9-11H,8H2,1H3.
What are the key properties of 7-methoxy-2-phenyl-4H-thiochromene?
7-methoxy-2-phenyl-4H-thiochromene has a molecular weight of 254.35 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-phenyl-4H-thiochromene is sourced from PubChem (CID 12957318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).