[2-methyl-3-[1-(3H-pyrrol-4-yl)ethyl]phenyl]methanol

C14H17NO — CID 58543398

IUPAC[2-methyl-3-[1-(3H-pyrrol-4-yl)ethyl]phenyl]methanol
SMILESCc1c(CO)cccc1C(C)C1=CN=CC1
InChIInChI=1S/C14H17NO/c1-10(12-6-7-15-8-12)14-5-3-4-13(9-16)11(14)2/h3-5,7-8,10,16H,6,9H2,1-2H3
InChIKeyILEPSGAXGSINCW-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.95
Rot. Bonds3

About [2-methyl-3-[1-(3H-pyrrol-4-yl)ethyl]phenyl]methanol

[2-methyl-3-[1-(3H-pyrrol-4-yl)ethyl]phenyl]methanol (PubChem CID 58543398) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is [2-methyl-3-[1-(3H-pyrrol-4-yl)ethyl]phenyl]methanol.

Molecular Properties

Compound Name[2-methyl-3-[1-(3H-pyrrol-4-yl)ethyl]phenyl]methanol
PubChem CID58543398
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name[2-methyl-3-[1-(3H-pyrrol-4-yl)ethyl]phenyl]methanol
SMILESCc1c(CO)cccc1C(C)C1=CN=CC1
InChIInChI=1S/C14H17NO/c1-10(12-6-7-15-8-12)14-5-3-4-13(9-16)11(14)2/h3-5,7-8,10,16H,6,9H2,1-2H3
InChIKeyILEPSGAXGSINCW-UHFFFAOYSA-N
XLogP2.95
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-[1-(3H-pyrrol-4-yl)ethyl]phenyl]methanol?
The IUPAC name of [2-methyl-3-[1-(3H-pyrrol-4-yl)ethyl]phenyl]methanol (CID 58543398) is [2-methyl-3-[1-(3H-pyrrol-4-yl)ethyl]phenyl]methanol.
What is the SMILES notation for [2-methyl-3-[1-(3H-pyrrol-4-yl)ethyl]phenyl]methanol?
The canonical SMILES for [2-methyl-3-[1-(3H-pyrrol-4-yl)ethyl]phenyl]methanol is Cc1c(CO)cccc1C(C)C1=CN=CC1.
What is the InChIKey of [2-methyl-3-[1-(3H-pyrrol-4-yl)ethyl]phenyl]methanol?
The InChIKey is ILEPSGAXGSINCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(12-6-7-15-8-12)14-5-3-4-13(9-16)11(14)2/h3-5,7-8,10,16H,6,9H2,1-2H3.
What are the key properties of [2-methyl-3-[1-(3H-pyrrol-4-yl)ethyl]phenyl]methanol?
[2-methyl-3-[1-(3H-pyrrol-4-yl)ethyl]phenyl]methanol has a molecular weight of 215.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-[1-(3H-pyrrol-4-yl)ethyl]phenyl]methanol is sourced from PubChem (CID 58543398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).