4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid

C19H21NO3 — CID 10244950

IUPAC4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2ccc(CN3CCCC3)cc2)cc1
InChIInChI=1S/C19H21NO3/c21-19(22)17-7-9-18(10-8-17)23-14-16-5-3-15(4-6-16)13-20-11-1-2-12-20/h3-10H,1-2,11-14H2,(H,21,22)
InChIKeyPYZXYJRFGKBNIF-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.56
Rot. Bonds6

About 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid

4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid (PubChem CID 10244950) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid.

Molecular Properties

Compound Name4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid
PubChem CID10244950
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2ccc(CN3CCCC3)cc2)cc1
InChIInChI=1S/C19H21NO3/c21-19(22)17-7-9-18(10-8-17)23-14-16-5-3-15(4-6-16)13-20-11-1-2-12-20/h3-10H,1-2,11-14H2,(H,21,22)
InChIKeyPYZXYJRFGKBNIF-UHFFFAOYSA-N
XLogP3.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 59382130
2-[4-[[4-[(4-phenylmethoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide
CID 90717393
4-phenylmethoxybenzoic acid
CID 68896574
4-[(4-bromophenyl)methoxy]benzoic acid
CID 8706939
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
4-[[4-[[4-(4-acetylphenoxy)phenyl]methyl]-1,4-diazepan-1-yl]methyl]benzoic acid
CID 23642226
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
4-[[4-(2-oxopropyl)phenoxy]methyl]benzoic acid
CID 115493805
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
4-[(3,4-dichlorophenyl)methoxy]benzoic acid
CID 2764449

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid?
The IUPAC name of 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid (CID 10244950) is 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid.
What is the SMILES notation for 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid?
The canonical SMILES for 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid is O=C(O)c1ccc(OCc2ccc(CN3CCCC3)cc2)cc1.
What is the InChIKey of 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid?
The InChIKey is PYZXYJRFGKBNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-19(22)17-7-9-18(10-8-17)23-14-16-5-3-15(4-6-16)13-20-11-1-2-12-20/h3-10H,1-2,11-14H2,(H,21,22).
What are the key properties of 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid?
4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid has a molecular weight of 311.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid is sourced from PubChem (CID 10244950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).