3-[(4-propan-2-yloxyphenyl)methyl]oxetane-3-carboxylic acid

C14H18O4 — CID 116930111

IUPAC3-[(4-propan-2-yloxyphenyl)methyl]oxetane-3-carboxylic acid
SMILESCC(C)Oc1ccc(CC2(C(=O)O)COC2)cc1
InChIInChI=1S/C14H18O4/c1-10(2)18-12-5-3-11(4-6-12)7-14(13(15)16)8-17-9-14/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyYDNDQUNNKBGKTB-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.12
Rot. Bonds5

About 3-[(4-propan-2-yloxyphenyl)methyl]oxetane-3-carboxylic acid

3-[(4-propan-2-yloxyphenyl)methyl]oxetane-3-carboxylic acid (PubChem CID 116930111) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 3-[(4-propan-2-yloxyphenyl)methyl]oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(4-propan-2-yloxyphenyl)methyl]oxetane-3-carboxylic acid
PubChem CID116930111
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name3-[(4-propan-2-yloxyphenyl)methyl]oxetane-3-carboxylic acid
SMILESCC(C)Oc1ccc(CC2(C(=O)O)COC2)cc1
InChIInChI=1S/C14H18O4/c1-10(2)18-12-5-3-11(4-6-12)7-14(13(15)16)8-17-9-14/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyYDNDQUNNKBGKTB-UHFFFAOYSA-N
XLogP2.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-propan-2-yloxyphenyl)methyl]oxetane-3-carboxylic 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

3-(pyridin-4-ylmethyl)oxetane-3-carboxylic acid
CID 116930166
3-[(4-methoxy-3-methylphenyl)methyl]oxetane-3-carboxylic acid
CID 116930073
3-[(4-fluorophenyl)methyl]oxolane-3-carboxylic acid
CID 62740795
2-oxo-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 57248551
3-(1H-pyrrol-3-ylmethyl)oxetane-3-carboxylic acid
CID 116930117
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130
[1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine
CID 116928971
1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47024767
3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetane-3-carboxylic acid
CID 116930146
propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate
CID 16637947
4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 98017762

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-yloxyphenyl)methyl]oxetane-3-carboxylic acid?
The IUPAC name of 3-[(4-propan-2-yloxyphenyl)methyl]oxetane-3-carboxylic acid (CID 116930111) is 3-[(4-propan-2-yloxyphenyl)methyl]oxetane-3-carboxylic acid.
What is the SMILES notation for 3-[(4-propan-2-yloxyphenyl)methyl]oxetane-3-carboxylic acid?
The canonical SMILES for 3-[(4-propan-2-yloxyphenyl)methyl]oxetane-3-carboxylic acid is CC(C)Oc1ccc(CC2(C(=O)O)COC2)cc1.
What is the InChIKey of 3-[(4-propan-2-yloxyphenyl)methyl]oxetane-3-carboxylic acid?
The InChIKey is YDNDQUNNKBGKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-10(2)18-12-5-3-11(4-6-12)7-14(13(15)16)8-17-9-14/h3-6,10H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 3-[(4-propan-2-yloxyphenyl)methyl]oxetane-3-carboxylic acid?
3-[(4-propan-2-yloxyphenyl)methyl]oxetane-3-carboxylic acid has a molecular weight of 250.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-yloxyphenyl)methyl]oxetane-3-carboxylic acid is sourced from PubChem (CID 116930111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).