(1S)-1-[(4S)-4-(2-methylphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]propan-1-ol

C23H22O2S — CID 1495791

IUPAC(1S)-1-[(4S)-4-(2-methylphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]propan-1-ol
SMILESCC[C@H](O)C1=C(c2cccs2)Oc2ccccc2[C@@H]1c1ccccc1C
InChIInChI=1S/C23H22O2S/c1-3-18(24)22-21(16-10-5-4-9-15(16)2)17-11-6-7-12-19(17)25-23(22)20-13-8-14-26-20/h4-14,18,21,24H,3H2,1-2H3/t18-,21-/m0/s1
InChIKeyGTZVMLBDLMWVMM-RXVVDRJESA-N
MW362.49 g/mol
LogP5.76
Rot. Bonds4

About (1S)-1-[(4S)-4-(2-methylphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]propan-1-ol

(1S)-1-[(4S)-4-(2-methylphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]propan-1-ol (PubChem CID 1495791) has the molecular formula C23H22O2S and a molecular weight of 362.49 g/mol. Its IUPAC name is (1S)-1-[(4S)-4-(2-methylphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(4S)-4-(2-methylphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]propan-1-ol
PubChem CID1495791
Molecular FormulaC23H22O2S
Molecular Weight362.49 g/mol
Exact Mass362.13
IUPAC Name(1S)-1-[(4S)-4-(2-methylphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]propan-1-ol
SMILESCC[C@H](O)C1=C(c2cccs2)Oc2ccccc2[C@@H]1c1ccccc1C
InChIInChI=1S/C23H22O2S/c1-3-18(24)22-21(16-10-5-4-9-15(16)2)17-11-6-7-12-19(17)25-23(22)20-13-8-14-26-20/h4-14,18,21,24H,3H2,1-2H3/t18-,21-/m0/s1
InChIKeyGTZVMLBDLMWVMM-RXVVDRJESA-N
XLogP5.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.49
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[(4S)-4-(2-methylphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]propan-1-ol with MolForge

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Related Compounds

3-{2-[5-(2-Benzyloxy-phenyl)-thiophen-3-yl]-phenyl}-propionic acid
CID 10158725
4-(3-Phenylsulfanylpropyl)-2,3-dihydro-1-benzofuran-5-ol
CID 14484890
3-{2-[4-(2-Benzyloxy-phenyl)-thiophen-2-yl]-phenyl}-propionic acid
CID 21362879
3-{2-[5-(2-Benzyloxy-phenyl)-thiophen-3-yl]-phenyl}-2-methyl-propionic acid
CID 21362905
2-{2-[5-(2-Benzyloxy-phenyl)-thiophen-3-yl]-phenyl}-cyclopropanecarboxylic acid
CID 11743212
3-{2-[5-(2-Benzyloxy-phenyl)-thiophen-3-yl]-phenyl}-butyric acid
CID 44349528
(2S,3R,4R,5S,6R)-2-[3-[(4-ethoxyphenyl)methyl]-4-methyl-5-thiophen-3-ylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71110573
(2S,3R,4R,5S,6R)-2-[3-[(4-ethoxyphenyl)methyl]-4-methyl-5-thiophen-2-ylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71110575
2-[[2-[2-(3-Methoxyphenyl)ethyl]phenoxy]methyl]thiophene
CID 90655459
4-[(4-Methoxyphenyl)-thiophen-2-ylmethyl]phenol
CID 12191561
4-Methoxyphenyl-(2-thienyl)methanol
CID 3144579
4-[(3-Methoxyphenyl)-thiophen-2-ylmethyl]phenol
CID 44456197

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(4S)-4-(2-methylphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]propan-1-ol?
The IUPAC name of (1S)-1-[(4S)-4-(2-methylphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]propan-1-ol (CID 1495791) is (1S)-1-[(4S)-4-(2-methylphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-[(4S)-4-(2-methylphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]propan-1-ol?
The canonical SMILES for (1S)-1-[(4S)-4-(2-methylphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]propan-1-ol is CC[C@H](O)C1=C(c2cccs2)Oc2ccccc2[C@@H]1c1ccccc1C.
What is the InChIKey of (1S)-1-[(4S)-4-(2-methylphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]propan-1-ol?
The InChIKey is GTZVMLBDLMWVMM-RXVVDRJESA-N. The full InChI is InChI=1S/C23H22O2S/c1-3-18(24)22-21(16-10-5-4-9-15(16)2)17-11-6-7-12-19(17)25-23(22)20-13-8-14-26-20/h4-14,18,21,24H,3H2,1-2H3/t18-,21-/m0/s1.
What are the key properties of (1S)-1-[(4S)-4-(2-methylphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]propan-1-ol?
(1S)-1-[(4S)-4-(2-methylphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]propan-1-ol has a molecular weight of 362.49 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(4S)-4-(2-methylphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]propan-1-ol is sourced from PubChem (CID 1495791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).