(3,4-diethoxyphenyl)-(1H-pyrrol-2-yl)methanol

C15H19NO3 — CID 55228875

IUPAC(3,4-diethoxyphenyl)-(1H-pyrrol-2-yl)methanol
SMILESCCOc1ccc(C(O)c2ccc[nH]2)cc1OCC
InChIInChI=1S/C15H19NO3/c1-3-18-13-8-7-11(10-14(13)19-4-2)15(17)12-6-5-9-16-12/h5-10,15-17H,3-4H2,1-2H3
InChIKeyPUWCDBYRDJGUFB-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.89
Rot. Bonds6

About (3,4-diethoxyphenyl)-(1H-pyrrol-2-yl)methanol

(3,4-diethoxyphenyl)-(1H-pyrrol-2-yl)methanol (PubChem CID 55228875) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-(1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-(1H-pyrrol-2-yl)methanol
PubChem CID55228875
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(3,4-diethoxyphenyl)-(1H-pyrrol-2-yl)methanol
SMILESCCOc1ccc(C(O)c2ccc[nH]2)cc1OCC
InChIInChI=1S/C15H19NO3/c1-3-18-13-8-7-11(10-14(13)19-4-2)15(17)12-6-5-9-16-12/h5-10,15-17H,3-4H2,1-2H3
InChIKeyPUWCDBYRDJGUFB-UHFFFAOYSA-N
XLogP2.89
TPSA54.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-(1H-pyrrol-2-yl)methanol?
The IUPAC name of (3,4-diethoxyphenyl)-(1H-pyrrol-2-yl)methanol (CID 55228875) is (3,4-diethoxyphenyl)-(1H-pyrrol-2-yl)methanol.
What is the SMILES notation for (3,4-diethoxyphenyl)-(1H-pyrrol-2-yl)methanol?
The canonical SMILES for (3,4-diethoxyphenyl)-(1H-pyrrol-2-yl)methanol is CCOc1ccc(C(O)c2ccc[nH]2)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-(1H-pyrrol-2-yl)methanol?
The InChIKey is PUWCDBYRDJGUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-18-13-8-7-11(10-14(13)19-4-2)15(17)12-6-5-9-16-12/h5-10,15-17H,3-4H2,1-2H3.
What are the key properties of (3,4-diethoxyphenyl)-(1H-pyrrol-2-yl)methanol?
(3,4-diethoxyphenyl)-(1H-pyrrol-2-yl)methanol has a molecular weight of 261.32 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-(1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 55228875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).