(1-benzyl-2,3-dihydropyrrol-4-yl)-phenylmethanol

C18H19NO — CID 162399863

IUPAC(1-benzyl-2,3-dihydropyrrol-4-yl)-phenylmethanol
SMILESOC(C1=CN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C18H19NO/c20-18(16-9-5-2-6-10-16)17-11-12-19(14-17)13-15-7-3-1-4-8-15/h1-10,14,18,20H,11-13H2
InChIKeyOHMSISLWRLDQFH-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.51
Rot. Bonds4

About (1-benzyl-2,3-dihydropyrrol-4-yl)-phenylmethanol

(1-benzyl-2,3-dihydropyrrol-4-yl)-phenylmethanol (PubChem CID 162399863) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (1-benzyl-2,3-dihydropyrrol-4-yl)-phenylmethanol.

Molecular Properties

Compound Name(1-benzyl-2,3-dihydropyrrol-4-yl)-phenylmethanol
PubChem CID162399863
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(1-benzyl-2,3-dihydropyrrol-4-yl)-phenylmethanol
SMILESOC(C1=CN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C18H19NO/c20-18(16-9-5-2-6-10-16)17-11-12-19(14-17)13-15-7-3-1-4-8-15/h1-10,14,18,20H,11-13H2
InChIKeyOHMSISLWRLDQFH-UHFFFAOYSA-N
XLogP3.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
CID 19900296
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
(1R)-1,2-diphenylethanol
CID 1379022
(1S)-2-chloro-1-phenylethanol
CID 643323
1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
CID 111462476
1-benzyl-3,4-dihydro-2H-pyridine-5-carbonitrile
CID 12883454
cyclopenten-1-yl(phenyl)methanol
CID 62079270
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
2-benzyl-6-chloro-4-[hydroxy(phenyl)methyl]pyridazin-3-one
CID 53475593
(S)-[1-benzyl-5-[(S)-hydroxy(phenyl)methyl]triazol-4-yl]-phenylmethanol
CID 126090318
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-2,3-dihydropyrrol-4-yl)-phenylmethanol?
The IUPAC name of (1-benzyl-2,3-dihydropyrrol-4-yl)-phenylmethanol (CID 162399863) is (1-benzyl-2,3-dihydropyrrol-4-yl)-phenylmethanol.
What is the SMILES notation for (1-benzyl-2,3-dihydropyrrol-4-yl)-phenylmethanol?
The canonical SMILES for (1-benzyl-2,3-dihydropyrrol-4-yl)-phenylmethanol is OC(C1=CN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of (1-benzyl-2,3-dihydropyrrol-4-yl)-phenylmethanol?
The InChIKey is OHMSISLWRLDQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c20-18(16-9-5-2-6-10-16)17-11-12-19(14-17)13-15-7-3-1-4-8-15/h1-10,14,18,20H,11-13H2.
What are the key properties of (1-benzyl-2,3-dihydropyrrol-4-yl)-phenylmethanol?
(1-benzyl-2,3-dihydropyrrol-4-yl)-phenylmethanol has a molecular weight of 265.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-2,3-dihydropyrrol-4-yl)-phenylmethanol is sourced from PubChem (CID 162399863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).