(2,4-dichlorophenyl)-(2-methyl-1H-pyrrol-3-yl)methanol

C12H11Cl2NO — CID 57098054

IUPAC(2,4-dichlorophenyl)-(2-methyl-1H-pyrrol-3-yl)methanol
SMILESCc1[nH]ccc1C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2NO/c1-7-9(4-5-15-7)12(16)10-3-2-8(13)6-11(10)14/h2-6,12,15-16H,1H3
InChIKeyZZPXQFTVIQCCJW-UHFFFAOYSA-N
MW256.13 g/mol
LogP3.71
Rot. Bonds2

About (2,4-dichlorophenyl)-(2-methyl-1H-pyrrol-3-yl)methanol

(2,4-dichlorophenyl)-(2-methyl-1H-pyrrol-3-yl)methanol (PubChem CID 57098054) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(2-methyl-1H-pyrrol-3-yl)methanol.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(2-methyl-1H-pyrrol-3-yl)methanol
PubChem CID57098054
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name(2,4-dichlorophenyl)-(2-methyl-1H-pyrrol-3-yl)methanol
SMILESCc1[nH]ccc1C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2NO/c1-7-9(4-5-15-7)12(16)10-3-2-8(13)6-11(10)14/h2-6,12,15-16H,1H3
InChIKeyZZPXQFTVIQCCJW-UHFFFAOYSA-N
XLogP3.71
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
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CID 63427541
(2,4-dichlorophenyl)-(4-fluorophenyl)methanol
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(2,4-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 82816626
(2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol
CID 166243334
(2,4-dichlorophenyl)-(6-methyl-2-pyridinyl)methanol
CID 114281098
(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
(R)-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methanol
CID 129383198
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanol
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(2,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(2-methyl-1H-pyrrol-3-yl)methanol?
The IUPAC name of (2,4-dichlorophenyl)-(2-methyl-1H-pyrrol-3-yl)methanol (CID 57098054) is (2,4-dichlorophenyl)-(2-methyl-1H-pyrrol-3-yl)methanol.
What is the SMILES notation for (2,4-dichlorophenyl)-(2-methyl-1H-pyrrol-3-yl)methanol?
The canonical SMILES for (2,4-dichlorophenyl)-(2-methyl-1H-pyrrol-3-yl)methanol is Cc1[nH]ccc1C(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-(2-methyl-1H-pyrrol-3-yl)methanol?
The InChIKey is ZZPXQFTVIQCCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c1-7-9(4-5-15-7)12(16)10-3-2-8(13)6-11(10)14/h2-6,12,15-16H,1H3.
What are the key properties of (2,4-dichlorophenyl)-(2-methyl-1H-pyrrol-3-yl)methanol?
(2,4-dichlorophenyl)-(2-methyl-1H-pyrrol-3-yl)methanol has a molecular weight of 256.13 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(2-methyl-1H-pyrrol-3-yl)methanol is sourced from PubChem (CID 57098054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).