1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol

C15H18ClNO — CID 79097426

IUPAC1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ccn(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H18ClNO/c1-11(2)15(18)13-7-8-17(10-13)9-12-3-5-14(16)6-4-12/h3-8,10-11,15,18H,9H2,1-2H3
InChIKeyQWXFKGHCEKMVND-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.88
Rot. Bonds4

About 1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol

1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol (PubChem CID 79097426) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
PubChem CID79097426
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ccn(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H18ClNO/c1-11(2)15(18)13-7-8-17(10-13)9-12-3-5-14(16)6-4-12/h3-8,10-11,15,18H,9H2,1-2H3
InChIKeyQWXFKGHCEKMVND-UHFFFAOYSA-N
XLogP3.88
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 68771527
1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097108
2-fluoro-5-[[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]methyl]benzonitrile
CID 107883246
1-[1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097101
1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79109088
2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol
CID 79097185
N-[1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79099452
2-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-ol
CID 79098041
1-[1-[(4-tert-butylphenyl)methyl]pyrrol-3-yl]ethanol
CID 79107076
2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79097679
4-fluoro-3-[[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]methyl]benzonitrile
CID 79097598
2-methyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79097601

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol (CID 79097426) is 1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol is CC(C)C(O)c1ccn(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol?
The InChIKey is QWXFKGHCEKMVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-11(2)15(18)13-7-8-17(10-13)9-12-3-5-14(16)6-4-12/h3-8,10-11,15,18H,9H2,1-2H3.
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol?
1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol has a molecular weight of 263.77 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 79097426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).