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

C26H28O3 — CID 58521526

IUPAC4-(cycloheptylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccc(CC2CCCCCC2)cc1OCc1cccc2ccccc12
InChIInChI=1S/C26H28O3/c27-26(28)24-15-14-20(16-19-8-3-1-2-4-9-19)17-25(24)29-18-22-12-7-11-21-10-5-6-13-23(21)22/h5-7,10-15,17,19H,1-4,8-9,16,18H2,(H,27,28)
InChIKeyPLDYZBOBEUSVSN-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.63
Rot. Bonds6

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

4-(cycloheptylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid (PubChem CID 58521526) has the molecular formula C26H28O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 4-(cycloheptylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name4-(cycloheptylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
PubChem CID58521526
Molecular FormulaC26H28O3
Molecular Weight388.51 g/mol
Exact Mass388.20
IUPAC Name4-(cycloheptylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccc(CC2CCCCCC2)cc1OCc1cccc2ccccc12
InChIInChI=1S/C26H28O3/c27-26(28)24-15-14-20(16-19-8-3-1-2-4-9-19)17-25(24)29-18-22-12-7-11-21-10-5-6-13-23(21)22/h5-7,10-15,17,19H,1-4,8-9,16,18H2,(H,27,28)
InChIKeyPLDYZBOBEUSVSN-UHFFFAOYSA-N
XLogP6.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(cycloheptylmethyl)-2-(naphthalen-1-ylmethoxy)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

4-(cyclobutylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521525
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
4-(cyclopentylmethyl)-2-methoxybenzoic acid
CID 23021577
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
5-(cyclohexylmethyl)-2-methoxybenzoic acid
CID 162393610
2-(naphthalen-1-yloxymethyl)benzoic acid
CID 43473128
4-(cyclohexylmethyl)benzene-1,3-dicarboxylic acid
CID 174566304
4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
CID 20986648

Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid?
The IUPAC name of 4-(cycloheptylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid (CID 58521526) is 4-(cycloheptylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid.
What is the SMILES notation for 4-(cycloheptylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid?
The canonical SMILES for 4-(cycloheptylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid is O=C(O)c1ccc(CC2CCCCCC2)cc1OCc1cccc2ccccc12.
What is the InChIKey of 4-(cycloheptylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid?
The InChIKey is PLDYZBOBEUSVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O3/c27-26(28)24-15-14-20(16-19-8-3-1-2-4-9-19)17-25(24)29-18-22-12-7-11-21-10-5-6-13-23(21)22/h5-7,10-15,17,19H,1-4,8-9,16,18H2,(H,27,28).
What are the key properties of 4-(cycloheptylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid?
4-(cycloheptylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid has a molecular weight of 388.51 g/mol, XLogP of 6.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid is sourced from PubChem (CID 58521526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).