2-(4-methoxyphenyl)-3-propan-2-yl-1H-pyrrole

C14H17NO — CID 10954950

IUPAC2-(4-methoxyphenyl)-3-propan-2-yl-1H-pyrrole
SMILESCOc1ccc(-c2[nH]ccc2C(C)C)cc1
InChIInChI=1S/C14H17NO/c1-10(2)13-8-9-15-14(13)11-4-6-12(16-3)7-5-11/h4-10,15H,1-3H3
InChIKeyQSFGWTICRQPKKQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.81
Rot. Bonds3

About 2-(4-methoxyphenyl)-3-propan-2-yl-1H-pyrrole

2-(4-methoxyphenyl)-3-propan-2-yl-1H-pyrrole (PubChem CID 10954950) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-propan-2-yl-1H-pyrrole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-propan-2-yl-1H-pyrrole
PubChem CID10954950
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-(4-methoxyphenyl)-3-propan-2-yl-1H-pyrrole
SMILESCOc1ccc(-c2[nH]ccc2C(C)C)cc1
InChIInChI=1S/C14H17NO/c1-10(2)13-8-9-15-14(13)11-4-6-12(16-3)7-5-11/h4-10,15H,1-3H3
InChIKeyQSFGWTICRQPKKQ-UHFFFAOYSA-N
XLogP3.81
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methoxyphenyl)-3-[[4-[[2-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]phenyl]methyl]-1H-pyrrole
CID 122363305
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3-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-1H-pyrrol-2-yl]-1H-pyrrole
CID 102186153
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CID 21129
2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 13394256
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CID 19098652
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
2-(4-methoxyphenyl)-5-methylfuran
CID 11171456
1-[4-(4-methoxyphenyl)phenoxy]ethanol
CID 19939691
1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene
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CID 166176950

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-propan-2-yl-1H-pyrrole?
The IUPAC name of 2-(4-methoxyphenyl)-3-propan-2-yl-1H-pyrrole (CID 10954950) is 2-(4-methoxyphenyl)-3-propan-2-yl-1H-pyrrole.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-propan-2-yl-1H-pyrrole?
The canonical SMILES for 2-(4-methoxyphenyl)-3-propan-2-yl-1H-pyrrole is COc1ccc(-c2[nH]ccc2C(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-propan-2-yl-1H-pyrrole?
The InChIKey is QSFGWTICRQPKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(2)13-8-9-15-14(13)11-4-6-12(16-3)7-5-11/h4-10,15H,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-3-propan-2-yl-1H-pyrrole?
2-(4-methoxyphenyl)-3-propan-2-yl-1H-pyrrole has a molecular weight of 215.30 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-propan-2-yl-1H-pyrrole is sourced from PubChem (CID 10954950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).