1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanol

C14H16ClNO2 — CID 79107502

IUPAC1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanol
SMILESCOc1ccc(Cl)cc1Cn1ccc(C(C)O)c1
InChIInChI=1S/C14H16ClNO2/c1-10(17)11-5-6-16(8-11)9-12-7-13(15)3-4-14(12)18-2/h3-8,10,17H,9H2,1-2H3
InChIKeyXOZJGZOYZOOFSR-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.25
Rot. Bonds4

About 1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanol

1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanol (PubChem CID 79107502) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanol
PubChem CID79107502
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanol
SMILESCOc1ccc(Cl)cc1Cn1ccc(C(C)O)c1
InChIInChI=1S/C14H16ClNO2/c1-10(17)11-5-6-16(8-11)9-12-7-13(15)3-4-14(12)18-2/h3-8,10,17H,9H2,1-2H3
InChIKeyXOZJGZOYZOOFSR-UHFFFAOYSA-N
XLogP3.25
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl]pyrrole-3-carbaldehyde
CID 66407918
1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105735
1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 43424347
1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79109088
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 79105867
1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109053
1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 79097214
N-ethyl-1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79109629
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol
CID 63562020
[1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol
CID 66398877
1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104615

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanol?
The IUPAC name of 1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanol (CID 79107502) is 1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanol.
What is the SMILES notation for 1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanol?
The canonical SMILES for 1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanol is COc1ccc(Cl)cc1Cn1ccc(C(C)O)c1.
What is the InChIKey of 1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanol?
The InChIKey is XOZJGZOYZOOFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-10(17)11-5-6-16(8-11)9-12-7-13(15)3-4-14(12)18-2/h3-8,10,17H,9H2,1-2H3.
What are the key properties of 1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanol?
1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanol has a molecular weight of 265.74 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanol is sourced from PubChem (CID 79107502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).