3-hydroxy-3-[4-[(2-methylphenyl)methoxy]phenyl]propanoic acid

C17H18O4 — CID 123243289

IUPAC3-hydroxy-3-[4-[(2-methylphenyl)methoxy]phenyl]propanoic acid
SMILESCc1ccccc1COc1ccc(C(O)CC(=O)O)cc1
InChIInChI=1S/C17H18O4/c1-12-4-2-3-5-14(12)11-21-15-8-6-13(7-9-15)16(18)10-17(19)20/h2-9,16,18H,10-11H2,1H3,(H,19,20)
InChIKeyDDADYTHWCSGMDJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.08
Rot. Bonds6

About 3-hydroxy-3-[4-[(2-methylphenyl)methoxy]phenyl]propanoic acid

3-hydroxy-3-[4-[(2-methylphenyl)methoxy]phenyl]propanoic acid (PubChem CID 123243289) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-hydroxy-3-[4-[(2-methylphenyl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-[4-[(2-methylphenyl)methoxy]phenyl]propanoic acid
PubChem CID123243289
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name3-hydroxy-3-[4-[(2-methylphenyl)methoxy]phenyl]propanoic acid
SMILESCc1ccccc1COc1ccc(C(O)CC(=O)O)cc1
InChIInChI=1S/C17H18O4/c1-12-4-2-3-5-14(12)11-21-15-8-6-13(7-9-15)16(18)10-17(19)20/h2-9,16,18H,10-11H2,1H3,(H,19,20)
InChIKeyDDADYTHWCSGMDJ-UHFFFAOYSA-N
XLogP3.08
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[4-[(2-methylphenyl)methoxy]phenyl]-3-propan-2-yloxypropanoic acid
CID 124564524
3-[4-[(2-methylphenyl)methoxy]phenyl]hex-4-ynoic acid
CID 16726098
2-[4-[(2-methylphenyl)methoxy]phenyl]-4-oxobutanoic acid
CID 87985760
2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid
CID 115462467
N-[4-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 7642527
1-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-ol
CID 115496013
4-hydroxy-2-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 46843455
4-[(2-methylphenyl)methoxy]benzohydrazide
CID 17349910
3-hydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 110024303
3-ethoxy-3-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]propanoic acid
CID 122185441
3-methyl-2-[[4-[(2-methylphenyl)methoxy]phenyl]methylamino]butanoic acid
CID 66528504
(3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid
CID 67621465

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[4-[(2-methylphenyl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-hydroxy-3-[4-[(2-methylphenyl)methoxy]phenyl]propanoic acid (CID 123243289) is 3-hydroxy-3-[4-[(2-methylphenyl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-hydroxy-3-[4-[(2-methylphenyl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-hydroxy-3-[4-[(2-methylphenyl)methoxy]phenyl]propanoic acid is Cc1ccccc1COc1ccc(C(O)CC(=O)O)cc1.
What is the InChIKey of 3-hydroxy-3-[4-[(2-methylphenyl)methoxy]phenyl]propanoic acid?
The InChIKey is DDADYTHWCSGMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-12-4-2-3-5-14(12)11-21-15-8-6-13(7-9-15)16(18)10-17(19)20/h2-9,16,18H,10-11H2,1H3,(H,19,20).
What are the key properties of 3-hydroxy-3-[4-[(2-methylphenyl)methoxy]phenyl]propanoic acid?
3-hydroxy-3-[4-[(2-methylphenyl)methoxy]phenyl]propanoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[4-[(2-methylphenyl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 123243289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).