(6-methylnaphthalen-1-yl) 6-methylnaphthalene-2-carboxylate

C23H18O2 — CID 21292340

IUPAC(6-methylnaphthalen-1-yl) 6-methylnaphthalene-2-carboxylate
SMILESCc1ccc2cc(C(=O)Oc3cccc4cc(C)ccc34)ccc2c1
InChIInChI=1S/C23H18O2/c1-15-6-8-18-14-20(10-9-17(18)12-15)23(24)25-22-5-3-4-19-13-16(2)7-11-21(19)22/h3-14H,1-2H3
InChIKeyZLRHZBMCGGFQQP-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.83
Rot. Bonds2

About (6-methylnaphthalen-1-yl) 6-methylnaphthalene-2-carboxylate

(6-methylnaphthalen-1-yl) 6-methylnaphthalene-2-carboxylate (PubChem CID 21292340) has the molecular formula C23H18O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (6-methylnaphthalen-1-yl) 6-methylnaphthalene-2-carboxylate.

Molecular Properties

Compound Name(6-methylnaphthalen-1-yl) 6-methylnaphthalene-2-carboxylate
PubChem CID21292340
Molecular FormulaC23H18O2
Molecular Weight326.40 g/mol
Exact Mass326.13
IUPAC Name(6-methylnaphthalen-1-yl) 6-methylnaphthalene-2-carboxylate
SMILESCc1ccc2cc(C(=O)Oc3cccc4cc(C)ccc34)ccc2c1
InChIInChI=1S/C23H18O2/c1-15-6-8-18-14-20(10-9-17(18)12-15)23(24)25-22-5-3-4-19-13-16(2)7-11-21(19)22/h3-14H,1-2H3
InChIKeyZLRHZBMCGGFQQP-UHFFFAOYSA-N
XLogP5.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

anthracen-1-yl naphthalene-2-carboxylate
CID 151830595
(6-methylnaphthalen-1-yl) acetate
CID 14143439
dinaphthalen-1-yl 2-methylbenzene-1,4-dicarboxylate
CID 139985706
(6-methylnaphthalen-2-yl) 4-methylnaphthalene-2-carboxylate
CID 70139674
[8-(4-methylbenzoyl)oxynaphthalen-1-yl] 4-methylbenzoate
CID 137412907
[4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate
CID 89329145
(7-methylnaphthalen-1-yl) acetate
CID 14143437
(2-acetylphenyl) naphthalene-2-carboxylate
CID 67194718
anthracen-1-yl 4-hydroxybenzoate
CID 159973907
6-methylnaphthalene-1-carboxylic acid;6-methylnaphthalene-2-carboxylic acid;7-methylnaphthalene-2-carboxylic acid
CID 159162077
2-methyl-1-(6-methylnaphthalen-2-yl)propan-1-one
CID 13199366
bis(2-methoxycarbonylphenyl) naphthalene-2,6-dicarboxylate
CID 139985709

Frequently Asked Questions

What is the IUPAC name of (6-methylnaphthalen-1-yl) 6-methylnaphthalene-2-carboxylate?
The IUPAC name of (6-methylnaphthalen-1-yl) 6-methylnaphthalene-2-carboxylate (CID 21292340) is (6-methylnaphthalen-1-yl) 6-methylnaphthalene-2-carboxylate.
What is the SMILES notation for (6-methylnaphthalen-1-yl) 6-methylnaphthalene-2-carboxylate?
The canonical SMILES for (6-methylnaphthalen-1-yl) 6-methylnaphthalene-2-carboxylate is Cc1ccc2cc(C(=O)Oc3cccc4cc(C)ccc34)ccc2c1.
What is the InChIKey of (6-methylnaphthalen-1-yl) 6-methylnaphthalene-2-carboxylate?
The InChIKey is ZLRHZBMCGGFQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O2/c1-15-6-8-18-14-20(10-9-17(18)12-15)23(24)25-22-5-3-4-19-13-16(2)7-11-21(19)22/h3-14H,1-2H3.
What are the key properties of (6-methylnaphthalen-1-yl) 6-methylnaphthalene-2-carboxylate?
(6-methylnaphthalen-1-yl) 6-methylnaphthalene-2-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylnaphthalen-1-yl) 6-methylnaphthalene-2-carboxylate is sourced from PubChem (CID 21292340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).