4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol

C17H19NO — CID 139355118

IUPAC4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
SMILESOc1ccc(-c2cccc(CN3CCCC3)c2)cc1
InChIInChI=1S/C17H19NO/c19-17-8-6-15(7-9-17)16-5-3-4-14(12-16)13-18-10-1-2-11-18/h3-9,12,19H,1-2,10-11,13H2
InChIKeyRPTFUYYVGGZMIM-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.65
Rot. Bonds3

About 4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol

4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol (PubChem CID 139355118) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol.

Molecular Properties

Compound Name4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
PubChem CID139355118
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
SMILESOc1ccc(-c2cccc(CN3CCCC3)c2)cc1
InChIInChI=1S/C17H19NO/c19-17-8-6-15(7-9-17)16-5-3-4-14(12-16)13-18-10-1-2-11-18/h3-9,12,19H,1-2,10-11,13H2
InChIKeyRPTFUYYVGGZMIM-UHFFFAOYSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
CID 170764195
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]phenol
CID 23585512
2-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-1,3-dihydroisoindol-5-ol
CID 155953139
4-[3-(fluoromethyl)phenyl]phenol
CID 174968947
[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 39226421
4-(3-benzylphenyl)phenol
CID 101277658
3-(pyrrolidin-1-ylmethyl)benzenethiol
CID 46785609
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 170503321
4-[(3-phenylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 75470875

Frequently Asked Questions

What is the IUPAC name of 4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol?
The IUPAC name of 4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol (CID 139355118) is 4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol.
What is the SMILES notation for 4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol?
The canonical SMILES for 4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol is Oc1ccc(-c2cccc(CN3CCCC3)c2)cc1.
What is the InChIKey of 4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol?
The InChIKey is RPTFUYYVGGZMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c19-17-8-6-15(7-9-17)16-5-3-4-14(12-16)13-18-10-1-2-11-18/h3-9,12,19H,1-2,10-11,13H2.
What are the key properties of 4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol?
4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol has a molecular weight of 253.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol is sourced from PubChem (CID 139355118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).