(4-propan-2-ylphenyl)-(1H-pyrrol-3-yl)methanol

C14H17NO — CID 63748931

IUPAC(4-propan-2-ylphenyl)-(1H-pyrrol-3-yl)methanol
SMILESCC(C)c1ccc(C(O)c2cc[nH]c2)cc1
InChIInChI=1S/C14H17NO/c1-10(2)11-3-5-12(6-4-11)14(16)13-7-8-15-9-13/h3-10,14-16H,1-2H3
InChIKeyRUWSXEOQQFDLJD-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.22
Rot. Bonds3

About (4-propan-2-ylphenyl)-(1H-pyrrol-3-yl)methanol

(4-propan-2-ylphenyl)-(1H-pyrrol-3-yl)methanol (PubChem CID 63748931) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)-(1H-pyrrol-3-yl)methanol.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)-(1H-pyrrol-3-yl)methanol
PubChem CID63748931
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(4-propan-2-ylphenyl)-(1H-pyrrol-3-yl)methanol
SMILESCC(C)c1ccc(C(O)c2cc[nH]c2)cc1
InChIInChI=1S/C14H17NO/c1-10(2)11-3-5-12(6-4-11)14(16)13-7-8-15-9-13/h3-10,14-16H,1-2H3
InChIKeyRUWSXEOQQFDLJD-UHFFFAOYSA-N
XLogP3.22
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)-(1H-pyrrol-3-yl)methanol?
The IUPAC name of (4-propan-2-ylphenyl)-(1H-pyrrol-3-yl)methanol (CID 63748931) is (4-propan-2-ylphenyl)-(1H-pyrrol-3-yl)methanol.
What is the SMILES notation for (4-propan-2-ylphenyl)-(1H-pyrrol-3-yl)methanol?
The canonical SMILES for (4-propan-2-ylphenyl)-(1H-pyrrol-3-yl)methanol is CC(C)c1ccc(C(O)c2cc[nH]c2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)-(1H-pyrrol-3-yl)methanol?
The InChIKey is RUWSXEOQQFDLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(2)11-3-5-12(6-4-11)14(16)13-7-8-15-9-13/h3-10,14-16H,1-2H3.
What are the key properties of (4-propan-2-ylphenyl)-(1H-pyrrol-3-yl)methanol?
(4-propan-2-ylphenyl)-(1H-pyrrol-3-yl)methanol has a molecular weight of 215.30 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)-(1H-pyrrol-3-yl)methanol is sourced from PubChem (CID 63748931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).