(4-methylphenyl)-[5-[(4-methylphenyl)-thiophen-2-ylmethyl]-1H-pyrrol-2-yl]methanol

C24H23NOS — CID 101000493

IUPAC(4-methylphenyl)-[5-[(4-methylphenyl)-thiophen-2-ylmethyl]-1H-pyrrol-2-yl]methanol
SMILESCc1ccc(C(O)c2ccc(C(c3ccc(C)cc3)c3cccs3)[nH]2)cc1
InChIInChI=1S/C24H23NOS/c1-16-5-9-18(10-6-16)23(22-4-3-15-27-22)20-13-14-21(25-20)24(26)19-11-7-17(2)8-12-19/h3-15,23-26H,1-2H3
InChIKeyAMWDHZDEQVRFSC-UHFFFAOYSA-N
MW373.52 g/mol
LogP5.95
Rot. Bonds5

About (4-methylphenyl)-[5-[(4-methylphenyl)-thiophen-2-ylmethyl]-1H-pyrrol-2-yl]methanol

(4-methylphenyl)-[5-[(4-methylphenyl)-thiophen-2-ylmethyl]-1H-pyrrol-2-yl]methanol (PubChem CID 101000493) has the molecular formula C24H23NOS and a molecular weight of 373.52 g/mol. Its IUPAC name is (4-methylphenyl)-[5-[(4-methylphenyl)-thiophen-2-ylmethyl]-1H-pyrrol-2-yl]methanol.

Molecular Properties

Compound Name(4-methylphenyl)-[5-[(4-methylphenyl)-thiophen-2-ylmethyl]-1H-pyrrol-2-yl]methanol
PubChem CID101000493
Molecular FormulaC24H23NOS
Molecular Weight373.52 g/mol
Exact Mass373.15
IUPAC Name(4-methylphenyl)-[5-[(4-methylphenyl)-thiophen-2-ylmethyl]-1H-pyrrol-2-yl]methanol
SMILESCc1ccc(C(O)c2ccc(C(c3ccc(C)cc3)c3cccs3)[nH]2)cc1
InChIInChI=1S/C24H23NOS/c1-16-5-9-18(10-6-16)23(22-4-3-15-27-22)20-13-14-21(25-20)24(26)19-11-7-17(2)8-12-19/h3-15,23-26H,1-2H3
InChIKeyAMWDHZDEQVRFSC-UHFFFAOYSA-N
XLogP5.95
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.52
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol
CID 15297737
[5-[[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-[4-(2-trimethylsilylethynyl)phenyl]methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol
CID 10650481
3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol
CID 82082551
(4-ethylphenyl)-thiophen-2-ylmethanol
CID 61104575
(R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol
CID 686964
(4-methylphenyl)-[4-(4-methylphenyl)phenyl]methanol
CID 143325793
(4-cyclobutylphenyl)-thiophen-2-ylmethanol
CID 116505278
(4-methylphenyl)-pyridin-4-ylmethanol
CID 3383504
1-cyclopropyl-3-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]thiourea
CID 9283733
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8867607
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8868329

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[5-[(4-methylphenyl)-thiophen-2-ylmethyl]-1H-pyrrol-2-yl]methanol?
The IUPAC name of (4-methylphenyl)-[5-[(4-methylphenyl)-thiophen-2-ylmethyl]-1H-pyrrol-2-yl]methanol (CID 101000493) is (4-methylphenyl)-[5-[(4-methylphenyl)-thiophen-2-ylmethyl]-1H-pyrrol-2-yl]methanol.
What is the SMILES notation for (4-methylphenyl)-[5-[(4-methylphenyl)-thiophen-2-ylmethyl]-1H-pyrrol-2-yl]methanol?
The canonical SMILES for (4-methylphenyl)-[5-[(4-methylphenyl)-thiophen-2-ylmethyl]-1H-pyrrol-2-yl]methanol is Cc1ccc(C(O)c2ccc(C(c3ccc(C)cc3)c3cccs3)[nH]2)cc1.
What is the InChIKey of (4-methylphenyl)-[5-[(4-methylphenyl)-thiophen-2-ylmethyl]-1H-pyrrol-2-yl]methanol?
The InChIKey is AMWDHZDEQVRFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NOS/c1-16-5-9-18(10-6-16)23(22-4-3-15-27-22)20-13-14-21(25-20)24(26)19-11-7-17(2)8-12-19/h3-15,23-26H,1-2H3.
What are the key properties of (4-methylphenyl)-[5-[(4-methylphenyl)-thiophen-2-ylmethyl]-1H-pyrrol-2-yl]methanol?
(4-methylphenyl)-[5-[(4-methylphenyl)-thiophen-2-ylmethyl]-1H-pyrrol-2-yl]methanol has a molecular weight of 373.52 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[5-[(4-methylphenyl)-thiophen-2-ylmethyl]-1H-pyrrol-2-yl]methanol is sourced from PubChem (CID 101000493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).