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

C11H9Cl2NO — CID 63748025

IUPAC(3,4-dichlorophenyl)-(1H-pyrrol-2-yl)methanol
SMILESOC(c1ccc(Cl)c(Cl)c1)c1ccc[nH]1
InChIInChI=1S/C11H9Cl2NO/c12-8-4-3-7(6-9(8)13)11(15)10-2-1-5-14-10/h1-6,11,14-15H
InChIKeyKUBYEUJHTXRXRB-UHFFFAOYSA-N
MW242.11 g/mol
LogP3.40
Rot. Bonds2

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

(3,4-dichlorophenyl)-(1H-pyrrol-2-yl)methanol (PubChem CID 63748025) has the molecular formula C11H9Cl2NO and a molecular weight of 242.11 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(1H-pyrrol-2-yl)methanol
PubChem CID63748025
Molecular FormulaC11H9Cl2NO
Molecular Weight242.11 g/mol
Exact Mass241.01
IUPAC Name(3,4-dichlorophenyl)-(1H-pyrrol-2-yl)methanol
SMILESOC(c1ccc(Cl)c(Cl)c1)c1ccc[nH]1
InChIInChI=1S/C11H9Cl2NO/c12-8-4-3-7(6-9(8)13)11(15)10-2-1-5-14-10/h1-6,11,14-15H
InChIKeyKUBYEUJHTXRXRB-UHFFFAOYSA-N
XLogP3.40
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278
(4-fluoro-3-methoxyphenyl)-(1H-pyrrol-2-yl)methanol
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(R)-(3,4-dichlorophenyl)-(3-fluorophenyl)methanol
CID 7153378
(3-cyclopropylphenyl)-(3,4-dichlorophenyl)methanol
CID 79980407
(3,5-dibromophenyl)-(3,4-dichlorophenyl)methanol
CID 107978749
(5-chlorofuran-2-yl)-(3,4-dichlorophenyl)methanol
CID 106688862
(3,4-dichlorophenyl)-(3-methoxyphenyl)methanol
CID 61083356
(3S,4S)-4-(3,4-dichlorophenyl)-4-phenylbutane-1,3-diol
CID 134968747
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
1-(3,4-dichlorophenyl)-3-methylbutane-1,2-diol
CID 103456454
1-(3,4-dichlorophenyl)-3-methylbut-2-en-1-ol
CID 79191000
(3,4-dichlorophenyl)-(thiadiazol-4-yl)methanol
CID 105133310

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(1H-pyrrol-2-yl)methanol?
The IUPAC name of (3,4-dichlorophenyl)-(1H-pyrrol-2-yl)methanol (CID 63748025) is (3,4-dichlorophenyl)-(1H-pyrrol-2-yl)methanol.
What is the SMILES notation for (3,4-dichlorophenyl)-(1H-pyrrol-2-yl)methanol?
The canonical SMILES for (3,4-dichlorophenyl)-(1H-pyrrol-2-yl)methanol is OC(c1ccc(Cl)c(Cl)c1)c1ccc[nH]1.
What is the InChIKey of (3,4-dichlorophenyl)-(1H-pyrrol-2-yl)methanol?
The InChIKey is KUBYEUJHTXRXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c12-8-4-3-7(6-9(8)13)11(15)10-2-1-5-14-10/h1-6,11,14-15H.
What are the key properties of (3,4-dichlorophenyl)-(1H-pyrrol-2-yl)methanol?
(3,4-dichlorophenyl)-(1H-pyrrol-2-yl)methanol has a molecular weight of 242.11 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 63748025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).