[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol

C20H21NO2 — CID 15297737

IUPAC[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc(C(O)c3ccc(C)cc3)[nH]2)cc1
InChIInChI=1S/C20H21NO2/c1-13-3-7-15(8-4-13)19(22)17-11-12-18(21-17)20(23)16-9-5-14(2)6-10-16/h3-12,19-23H,1-2H3
InChIKeySYYSJLRFLLBATF-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.79
Rot. Bonds4

About [5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol

[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol (PubChem CID 15297737) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is [5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol.

Molecular Properties

Compound Name[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol
PubChem CID15297737
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc(C(O)c3ccc(C)cc3)[nH]2)cc1
InChIInChI=1S/C20H21NO2/c1-13-3-7-15(8-4-13)19(22)17-11-12-18(21-17)20(23)16-9-5-14(2)6-10-16/h3-12,19-23H,1-2H3
InChIKeySYYSJLRFLLBATF-UHFFFAOYSA-N
XLogP3.79
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-[5-[(4-methylphenyl)-thiophen-2-ylmethyl]-1H-pyrrol-2-yl]methanol
CID 101000493
[5-[[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-[4-(2-trimethylsilylethynyl)phenyl]methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol
CID 10650481
(4-methylphenyl)-[4-(4-methylphenyl)phenyl]methanol
CID 143325793
[5-[(Z)-2-(1-bromoethenylamino)-1-(4-methylphenyl)pent-2-enyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol
CID 142185546
(3,5-ditert-butylphenyl)-[5-[(3,5-ditert-butylphenyl)-hydroxymethyl]-1H-pyrrol-2-yl]methanol
CID 177493837
(4-methylphenyl)-pyridin-4-ylmethanol
CID 3383504
amino-(4-methylphenyl)methanol
CID 70304176
(4-methylphenyl)-pyrimidin-5-ylmethanol
CID 62491341
(S)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 822066
(2,6-difluorophenyl)-(4-methylphenyl)methanol
CID 61101417
(2-amino-5-methylphenyl)-(4-methylphenyl)methanol
CID 105484727
(S)-(2-aminophenyl)-(4-methylphenyl)methanol
CID 40526253

Frequently Asked Questions

What is the IUPAC name of [5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol?
The IUPAC name of [5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol (CID 15297737) is [5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol.
What is the SMILES notation for [5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol?
The canonical SMILES for [5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol is Cc1ccc(C(O)c2ccc(C(O)c3ccc(C)cc3)[nH]2)cc1.
What is the InChIKey of [5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol?
The InChIKey is SYYSJLRFLLBATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-13-3-7-15(8-4-13)19(22)17-11-12-18(21-17)20(23)16-9-5-14(2)6-10-16/h3-12,19-23H,1-2H3.
What are the key properties of [5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol?
[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol has a molecular weight of 307.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol is sourced from PubChem (CID 15297737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).