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

C18H21NO — CID 170764195

IUPAC3-methyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
SMILESCc1cc(O)ccc1-c1cccc(CN2CCCC2)c1
InChIInChI=1S/C18H21NO/c1-14-11-17(20)7-8-18(14)16-6-4-5-15(12-16)13-19-9-2-3-10-19/h4-8,11-12,20H,2-3,9-10,13H2,1H3
InChIKeyWCVXMLYIKFAHCI-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.96
Rot. Bonds3

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

3-methyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol (PubChem CID 170764195) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-methyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol.

Molecular Properties

Compound Name3-methyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
PubChem CID170764195
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-methyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
SMILESCc1cc(O)ccc1-c1cccc(CN2CCCC2)c1
InChIInChI=1S/C18H21NO/c1-14-11-17(20)7-8-18(14)16-6-4-5-15(12-16)13-19-9-2-3-10-19/h4-8,11-12,20H,2-3,9-10,13H2,1H3
InChIKeyWCVXMLYIKFAHCI-UHFFFAOYSA-N
XLogP3.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
CID 139355118
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
2-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-1,3-dihydroisoindol-5-ol
CID 155953139
2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 170503321
1-[[3-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]phenyl]methyl]piperidin-4-ol
CID 166377132
4-[4-[[4-(3-hydroxyphenyl)-3-methylphenyl]methyl]piperazin-1-yl]-N-methylsulfonylbenzamide
CID 169272985
1-[[3-[(2,6-dimethylphenoxy)methyl]phenyl]methyl]piperidine
CID 23276093
1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 131897295
1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
CID 145435843
2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39226434
3,5-dimethyl-4-(pyrrolidin-1-ylmethyl)phenol
CID 68619963
1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1,4-diazepane
CID 59037165

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol?
The IUPAC name of 3-methyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol (CID 170764195) is 3-methyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol.
What is the SMILES notation for 3-methyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol?
The canonical SMILES for 3-methyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol is Cc1cc(O)ccc1-c1cccc(CN2CCCC2)c1.
What is the InChIKey of 3-methyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol?
The InChIKey is WCVXMLYIKFAHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14-11-17(20)7-8-18(14)16-6-4-5-15(12-16)13-19-9-2-3-10-19/h4-8,11-12,20H,2-3,9-10,13H2,1H3.
What are the key properties of 3-methyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol?
3-methyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol has a molecular weight of 267.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol is sourced from PubChem (CID 170764195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).