(3-ethoxy-4-methoxyphenyl)-(3-pyrrol-1-ylphenyl)methanol

C20H21NO3 — CID 69205838

IUPAC(3-ethoxy-4-methoxyphenyl)-(3-pyrrol-1-ylphenyl)methanol
SMILESCCOc1cc(C(O)c2cccc(-n3cccc3)c2)ccc1OC
InChIInChI=1S/C20H21NO3/c1-3-24-19-14-16(9-10-18(19)23-2)20(22)15-7-6-8-17(13-15)21-11-4-5-12-21/h4-14,20,22H,3H2,1-2H3
InChIKeyRVMULSLKTHMNBQ-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.97
Rot. Bonds6

About (3-ethoxy-4-methoxyphenyl)-(3-pyrrol-1-ylphenyl)methanol

(3-ethoxy-4-methoxyphenyl)-(3-pyrrol-1-ylphenyl)methanol (PubChem CID 69205838) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (3-ethoxy-4-methoxyphenyl)-(3-pyrrol-1-ylphenyl)methanol.

Molecular Properties

Compound Name(3-ethoxy-4-methoxyphenyl)-(3-pyrrol-1-ylphenyl)methanol
PubChem CID69205838
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(3-ethoxy-4-methoxyphenyl)-(3-pyrrol-1-ylphenyl)methanol
SMILESCCOc1cc(C(O)c2cccc(-n3cccc3)c2)ccc1OC
InChIInChI=1S/C20H21NO3/c1-3-24-19-14-16(9-10-18(19)23-2)20(22)15-7-6-8-17(13-15)21-11-4-5-12-21/h4-14,20,22H,3H2,1-2H3
InChIKeyRVMULSLKTHMNBQ-UHFFFAOYSA-N
XLogP3.97
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol
CID 129391245
(S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol
CID 129391240
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
(E)-3-(3-ethoxy-4-methoxyphenyl)-3-(3-pyrrol-1-ylphenyl)prop-2-enenitrile
CID 11544719
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol
CID 170819078
(3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol
CID 62790303
1,3-dioxol-4-yl-(3-ethoxy-4-methoxyphenyl)methanol
CID 141140451
3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170825210
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4-methoxyphenyl)-(3-pyrrol-1-ylphenyl)methanol?
The IUPAC name of (3-ethoxy-4-methoxyphenyl)-(3-pyrrol-1-ylphenyl)methanol (CID 69205838) is (3-ethoxy-4-methoxyphenyl)-(3-pyrrol-1-ylphenyl)methanol.
What is the SMILES notation for (3-ethoxy-4-methoxyphenyl)-(3-pyrrol-1-ylphenyl)methanol?
The canonical SMILES for (3-ethoxy-4-methoxyphenyl)-(3-pyrrol-1-ylphenyl)methanol is CCOc1cc(C(O)c2cccc(-n3cccc3)c2)ccc1OC.
What is the InChIKey of (3-ethoxy-4-methoxyphenyl)-(3-pyrrol-1-ylphenyl)methanol?
The InChIKey is RVMULSLKTHMNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-3-24-19-14-16(9-10-18(19)23-2)20(22)15-7-6-8-17(13-15)21-11-4-5-12-21/h4-14,20,22H,3H2,1-2H3.
What are the key properties of (3-ethoxy-4-methoxyphenyl)-(3-pyrrol-1-ylphenyl)methanol?
(3-ethoxy-4-methoxyphenyl)-(3-pyrrol-1-ylphenyl)methanol has a molecular weight of 323.39 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-4-methoxyphenyl)-(3-pyrrol-1-ylphenyl)methanol is sourced from PubChem (CID 69205838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).