[4-(4-methylphenoxy)phenyl] tricyclo[3.3.1.03,7]nonane-1-carboxylate

C23H24O3 — CID 163967675

IUPAC[4-(4-methylphenoxy)phenyl] tricyclo[3.3.1.03,7]nonane-1-carboxylate
SMILESCc1ccc(Oc2ccc(OC(=O)C34CC5CC(C3)C(C5)C4)cc2)cc1
InChIInChI=1S/C23H24O3/c1-15-2-4-19(5-3-15)25-20-6-8-21(9-7-20)26-22(24)23-12-16-10-17(13-23)18(11-16)14-23/h2-9,16-18H,10-14H2,1H3
InChIKeySNFSCFADMYUZCB-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.52
Rot. Bonds4

About [4-(4-methylphenoxy)phenyl] tricyclo[3.3.1.03,7]nonane-1-carboxylate

[4-(4-methylphenoxy)phenyl] tricyclo[3.3.1.03,7]nonane-1-carboxylate (PubChem CID 163967675) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is [4-(4-methylphenoxy)phenyl] tricyclo[3.3.1.03,7]nonane-1-carboxylate.

Molecular Properties

Compound Name[4-(4-methylphenoxy)phenyl] tricyclo[3.3.1.03,7]nonane-1-carboxylate
PubChem CID163967675
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name[4-(4-methylphenoxy)phenyl] tricyclo[3.3.1.03,7]nonane-1-carboxylate
SMILESCc1ccc(Oc2ccc(OC(=O)C34CC5CC(C3)C(C5)C4)cc2)cc1
InChIInChI=1S/C23H24O3/c1-15-2-4-19(5-3-15)25-20-6-8-21(9-7-20)26-22(24)23-12-16-10-17(13-23)18(11-16)14-23/h2-9,16-18H,10-14H2,1H3
InChIKeySNFSCFADMYUZCB-UHFFFAOYSA-N
XLogP5.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-(4-methylphenoxy)phenyl] tricyclo[3.3.1.03,7]nonane-1-carboxylate 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

(4-acetamidophenyl) adamantane-1-carboxylate
CID 51152656
[4-(2,4-dimethylpentan-3-yl)phenyl] adamantane-1-carboxylate
CID 129035738
(6-methyl-3-pyridinyl) adamantane-1-carboxylate;hydrate;hydrochloride
CID 2829061
(4-butan-2-ylphenyl) adamantane-1-carboxylate
CID 89342175
[4-oxo-2-[(3R,7S)-1-tricyclo[3.3.1.03,7]nonanyl]chromen-6-yl] (3S,7R)-tricyclo[3.3.1.03,7]nonane-1-carboxylate
CID 11133778
1,3-benzodioxol-5-yl adamantane-1-carboxylate
CID 4068914
(2,2,4-trimethyl-1H-quinolin-6-yl) adamantane-1-carboxylate
CID 3743194
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] adamantane-1-carboxylate
CID 7867134
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 11918943
(2,3-dihydroxyphenyl) adamantane-1-carboxylate
CID 123805811
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenoxy)phenyl] tricyclo[3.3.1.03,7]nonane-1-carboxylate?
The IUPAC name of [4-(4-methylphenoxy)phenyl] tricyclo[3.3.1.03,7]nonane-1-carboxylate (CID 163967675) is [4-(4-methylphenoxy)phenyl] tricyclo[3.3.1.03,7]nonane-1-carboxylate.
What is the SMILES notation for [4-(4-methylphenoxy)phenyl] tricyclo[3.3.1.03,7]nonane-1-carboxylate?
The canonical SMILES for [4-(4-methylphenoxy)phenyl] tricyclo[3.3.1.03,7]nonane-1-carboxylate is Cc1ccc(Oc2ccc(OC(=O)C34CC5CC(C3)C(C5)C4)cc2)cc1.
What is the InChIKey of [4-(4-methylphenoxy)phenyl] tricyclo[3.3.1.03,7]nonane-1-carboxylate?
The InChIKey is SNFSCFADMYUZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-15-2-4-19(5-3-15)25-20-6-8-21(9-7-20)26-22(24)23-12-16-10-17(13-23)18(11-16)14-23/h2-9,16-18H,10-14H2,1H3.
What are the key properties of [4-(4-methylphenoxy)phenyl] tricyclo[3.3.1.03,7]nonane-1-carboxylate?
[4-(4-methylphenoxy)phenyl] tricyclo[3.3.1.03,7]nonane-1-carboxylate has a molecular weight of 348.44 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenoxy)phenyl] tricyclo[3.3.1.03,7]nonane-1-carboxylate is sourced from PubChem (CID 163967675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).