(1S)-1-[4-(2,5-dihydropyrrol-1-yl)phenyl]ethanol

C12H15NO — CID 130617448

IUPAC(1S)-1-[4-(2,5-dihydropyrrol-1-yl)phenyl]ethanol
SMILESC[C@H](O)c1ccc(N2CC=CC2)cc1
InChIInChI=1S/C12H15NO/c1-10(14)11-4-6-12(7-5-11)13-8-2-3-9-13/h2-7,10,14H,8-9H2,1H3/t10-/m0/s1
InChIKeyCVJQZQHYPDGXAM-JTQLQIEISA-N
MW189.26 g/mol
LogP2.12
Rot. Bonds2

About (1S)-1-[4-(2,5-dihydropyrrol-1-yl)phenyl]ethanol

(1S)-1-[4-(2,5-dihydropyrrol-1-yl)phenyl]ethanol (PubChem CID 130617448) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (1S)-1-[4-(2,5-dihydropyrrol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(2,5-dihydropyrrol-1-yl)phenyl]ethanol
PubChem CID130617448
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(1S)-1-[4-(2,5-dihydropyrrol-1-yl)phenyl]ethanol
SMILESC[C@H](O)c1ccc(N2CC=CC2)cc1
InChIInChI=1S/C12H15NO/c1-10(14)11-4-6-12(7-5-11)13-8-2-3-9-13/h2-7,10,14H,8-9H2,1H3/t10-/m0/s1
InChIKeyCVJQZQHYPDGXAM-JTQLQIEISA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 63370794
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836524
(1R)-1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanol
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CID 115560514
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol
CID 43505904
(1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 78939752
1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
CID 62777793
(1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol
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(1S)-1-[4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
CID 104930369
1-[4-(1,4-thiazepan-4-yl)phenyl]ethanol
CID 61419671

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2,5-dihydropyrrol-1-yl)phenyl]ethanol?
The IUPAC name of (1S)-1-[4-(2,5-dihydropyrrol-1-yl)phenyl]ethanol (CID 130617448) is (1S)-1-[4-(2,5-dihydropyrrol-1-yl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(2,5-dihydropyrrol-1-yl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(2,5-dihydropyrrol-1-yl)phenyl]ethanol is C[C@H](O)c1ccc(N2CC=CC2)cc1.
What is the InChIKey of (1S)-1-[4-(2,5-dihydropyrrol-1-yl)phenyl]ethanol?
The InChIKey is CVJQZQHYPDGXAM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15NO/c1-10(14)11-4-6-12(7-5-11)13-8-2-3-9-13/h2-7,10,14H,8-9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[4-(2,5-dihydropyrrol-1-yl)phenyl]ethanol?
(1S)-1-[4-(2,5-dihydropyrrol-1-yl)phenyl]ethanol has a molecular weight of 189.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2,5-dihydropyrrol-1-yl)phenyl]ethanol is sourced from PubChem (CID 130617448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).