4-(cyclobutylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid

C23H22O3 — CID 58521525

IUPAC4-(cyclobutylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccc(CC2CCC2)cc1OCc1cccc2ccccc12
InChIInChI=1S/C23H22O3/c24-23(25)21-12-11-17(13-16-5-3-6-16)14-22(21)26-15-19-9-4-8-18-7-1-2-10-20(18)19/h1-2,4,7-12,14,16H,3,5-6,13,15H2,(H,24,25)
InChIKeyUCLPWCGTBDVDSX-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.46
Rot. Bonds6

About 4-(cyclobutylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid

4-(cyclobutylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid (PubChem CID 58521525) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
PubChem CID58521525
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name4-(cyclobutylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccc(CC2CCC2)cc1OCc1cccc2ccccc12
InChIInChI=1S/C23H22O3/c24-23(25)21-12-11-17(13-16-5-3-6-16)14-22(21)26-15-19-9-4-8-18-7-1-2-10-20(18)19/h1-2,4,7-12,14,16H,3,5-6,13,15H2,(H,24,25)
InChIKeyUCLPWCGTBDVDSX-UHFFFAOYSA-N
XLogP5.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cycloheptylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521526
4-[(4-methylcyclohexyl)methyl]-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521522
4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid
CID 10596178
4-(3-methoxypropyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521492
2-(naphthalen-1-ylmethoxy)-4-(trifluoromethoxy)benzoic acid
CID 46202947
4-[(2-methylpyrazol-3-yl)methyl]-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521501
4-(3,4-dichlorophenyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521508
2-(naphthalen-1-yloxymethyl)benzoic acid
CID 43473128
4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
CID 20986648
CID 67883357
CID 67883357
4-cyclopropyl-2-phenylmethoxybenzoic acid
CID 162369981
5-(cyclohexylmethyl)-2-methoxybenzoic acid
CID 162393610

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid?
The IUPAC name of 4-(cyclobutylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid (CID 58521525) is 4-(cyclobutylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid.
What is the SMILES notation for 4-(cyclobutylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid?
The canonical SMILES for 4-(cyclobutylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid is O=C(O)c1ccc(CC2CCC2)cc1OCc1cccc2ccccc12.
What is the InChIKey of 4-(cyclobutylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid?
The InChIKey is UCLPWCGTBDVDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3/c24-23(25)21-12-11-17(13-16-5-3-6-16)14-22(21)26-15-19-9-4-8-18-7-1-2-10-20(18)19/h1-2,4,7-12,14,16H,3,5-6,13,15H2,(H,24,25).
What are the key properties of 4-(cyclobutylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid?
4-(cyclobutylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid has a molecular weight of 346.43 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid is sourced from PubChem (CID 58521525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).