(1-benzylpyrrol-2-yl)-(2,2-dimethylchromen-4-yl)methanol

C23H23NO2 — CID 42612405

IUPAC(1-benzylpyrrol-2-yl)-(2,2-dimethylchromen-4-yl)methanol
SMILESCC1(C)C=C(C(O)c2cccn2Cc2ccccc2)c2ccccc2O1
InChIInChI=1S/C23H23NO2/c1-23(2)15-19(18-11-6-7-13-21(18)26-23)22(25)20-12-8-14-24(20)16-17-9-4-3-5-10-17/h3-15,22,25H,16H2,1-2H3
InChIKeyJWXIBFBFYIRYBH-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.82
Rot. Bonds4

About (1-benzylpyrrol-2-yl)-(2,2-dimethylchromen-4-yl)methanol

(1-benzylpyrrol-2-yl)-(2,2-dimethylchromen-4-yl)methanol (PubChem CID 42612405) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is (1-benzylpyrrol-2-yl)-(2,2-dimethylchromen-4-yl)methanol.

Molecular Properties

Compound Name(1-benzylpyrrol-2-yl)-(2,2-dimethylchromen-4-yl)methanol
PubChem CID42612405
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name(1-benzylpyrrol-2-yl)-(2,2-dimethylchromen-4-yl)methanol
SMILESCC1(C)C=C(C(O)c2cccn2Cc2ccccc2)c2ccccc2O1
InChIInChI=1S/C23H23NO2/c1-23(2)15-19(18-11-6-7-13-21(18)26-23)22(25)20-12-8-14-24(20)16-17-9-4-3-5-10-17/h3-15,22,25H,16H2,1-2H3
InChIKeyJWXIBFBFYIRYBH-UHFFFAOYSA-N
XLogP4.82
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrol-2-yl)-(2,2-dimethylchromen-4-yl)methanol?
The IUPAC name of (1-benzylpyrrol-2-yl)-(2,2-dimethylchromen-4-yl)methanol (CID 42612405) is (1-benzylpyrrol-2-yl)-(2,2-dimethylchromen-4-yl)methanol.
What is the SMILES notation for (1-benzylpyrrol-2-yl)-(2,2-dimethylchromen-4-yl)methanol?
The canonical SMILES for (1-benzylpyrrol-2-yl)-(2,2-dimethylchromen-4-yl)methanol is CC1(C)C=C(C(O)c2cccn2Cc2ccccc2)c2ccccc2O1.
What is the InChIKey of (1-benzylpyrrol-2-yl)-(2,2-dimethylchromen-4-yl)methanol?
The InChIKey is JWXIBFBFYIRYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-23(2)15-19(18-11-6-7-13-21(18)26-23)22(25)20-12-8-14-24(20)16-17-9-4-3-5-10-17/h3-15,22,25H,16H2,1-2H3.
What are the key properties of (1-benzylpyrrol-2-yl)-(2,2-dimethylchromen-4-yl)methanol?
(1-benzylpyrrol-2-yl)-(2,2-dimethylchromen-4-yl)methanol has a molecular weight of 345.44 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrol-2-yl)-(2,2-dimethylchromen-4-yl)methanol is sourced from PubChem (CID 42612405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).