[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol

C15H16ClNO — CID 79103370

IUPAC[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol
SMILESOC(c1ccn(Cc2ccccc2Cl)c1)C1CC1
InChIInChI=1S/C15H16ClNO/c16-14-4-2-1-3-12(14)9-17-8-7-13(10-17)15(18)11-5-6-11/h1-4,7-8,10-11,15,18H,5-6,9H2
InChIKeyCBHVQDULMFWXRW-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.63
Rot. Bonds4

About [1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol

[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol (PubChem CID 79103370) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol
PubChem CID79103370
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol
SMILESOC(c1ccn(Cc2ccccc2Cl)c1)C1CC1
InChIInChI=1S/C15H16ClNO/c16-14-4-2-1-3-12(14)9-17-8-7-13(10-17)15(18)11-5-6-11/h1-4,7-8,10-11,15,18H,5-6,9H2
InChIKeyCBHVQDULMFWXRW-UHFFFAOYSA-N
XLogP3.63
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109675
[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol
CID 107883249
cyclopropyl-[1-[(2-methyl-3-nitrophenyl)methyl]pyrrol-3-yl]methanol
CID 79098208
cyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol
CID 79103372
cyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine
CID 79103466
2-[[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]methyl]benzonitrile
CID 79103383
[1-[(4-bromo-2-nitrophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol
CID 114382279
cyclopropyl-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]methanol
CID 112591034
cyclopropyl-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]methanamine
CID 79104344
cyclopropyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methanol
CID 79103631
cyclopropyl-[1-(quinolin-6-ylmethyl)pyrrol-3-yl]methanol
CID 79099098
2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide
CID 79099095

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol?
The IUPAC name of [1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol (CID 79103370) is [1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol is OC(c1ccn(Cc2ccccc2Cl)c1)C1CC1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol?
The InChIKey is CBHVQDULMFWXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c16-14-4-2-1-3-12(14)9-17-8-7-13(10-17)15(18)11-5-6-11/h1-4,7-8,10-11,15,18H,5-6,9H2.
What are the key properties of [1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol?
[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol has a molecular weight of 261.75 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol is sourced from PubChem (CID 79103370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).