[4-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]phenyl]methanol

C24H24O3S — CID 23537988

IUPAC[4-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]phenyl]methanol
SMILESCOc1ccc(C2CSc3cc(OC)ccc3C2c2ccc(CO)cc2)cc1
InChIInChI=1S/C24H24O3S/c1-26-19-9-7-17(8-10-19)22-15-28-23-13-20(27-2)11-12-21(23)24(22)18-5-3-16(14-25)4-6-18/h3-13,22,24-25H,14-15H2,1-2H3
InChIKeyPJDLLFRIWWLGCG-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.22
Rot. Bonds5

About [4-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]phenyl]methanol

[4-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]phenyl]methanol (PubChem CID 23537988) has the molecular formula C24H24O3S and a molecular weight of 392.52 g/mol. Its IUPAC name is [4-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]phenyl]methanol
PubChem CID23537988
Molecular FormulaC24H24O3S
Molecular Weight392.52 g/mol
Exact Mass392.14
IUPAC Name[4-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]phenyl]methanol
SMILESCOc1ccc(C2CSc3cc(OC)ccc3C2c2ccc(CO)cc2)cc1
InChIInChI=1S/C24H24O3S/c1-26-19-9-7-17(8-10-19)22-15-28-23-13-20(27-2)11-12-21(23)24(22)18-5-3-16(14-25)4-6-18/h3-13,22,24-25H,14-15H2,1-2H3
InChIKeyPJDLLFRIWWLGCG-UHFFFAOYSA-N
XLogP5.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]phenyl]methanol?
The IUPAC name of [4-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]phenyl]methanol (CID 23537988) is [4-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]phenyl]methanol.
What is the SMILES notation for [4-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]phenyl]methanol?
The canonical SMILES for [4-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]phenyl]methanol is COc1ccc(C2CSc3cc(OC)ccc3C2c2ccc(CO)cc2)cc1.
What is the InChIKey of [4-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]phenyl]methanol?
The InChIKey is PJDLLFRIWWLGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3S/c1-26-19-9-7-17(8-10-19)22-15-28-23-13-20(27-2)11-12-21(23)24(22)18-5-3-16(14-25)4-6-18/h3-13,22,24-25H,14-15H2,1-2H3.
What are the key properties of [4-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]phenyl]methanol?
[4-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]phenyl]methanol has a molecular weight of 392.52 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]phenyl]methanol is sourced from PubChem (CID 23537988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).