(4-naphthalen-2-ylphenyl) 2-methoxybenzoate

C24H18O3 — CID 158131394

IUPAC(4-naphthalen-2-ylphenyl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H18O3/c1-26-23-9-5-4-8-22(23)24(25)27-21-14-12-18(13-15-21)20-11-10-17-6-2-3-7-19(17)16-20/h2-16H,1H3
InChIKeyAJZNQKXFJQYKBC-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.73
Rot. Bonds4

About (4-naphthalen-2-ylphenyl) 2-methoxybenzoate

(4-naphthalen-2-ylphenyl) 2-methoxybenzoate (PubChem CID 158131394) has the molecular formula C24H18O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (4-naphthalen-2-ylphenyl) 2-methoxybenzoate.

Molecular Properties

Compound Name(4-naphthalen-2-ylphenyl) 2-methoxybenzoate
PubChem CID158131394
Molecular FormulaC24H18O3
Molecular Weight354.41 g/mol
Exact Mass354.13
IUPAC Name(4-naphthalen-2-ylphenyl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H18O3/c1-26-23-9-5-4-8-22(23)24(25)27-21-14-12-18(13-15-21)20-11-10-17-6-2-3-7-19(17)16-20/h2-16H,1H3
InChIKeyAJZNQKXFJQYKBC-UHFFFAOYSA-N
XLogP5.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-benzoylphenyl) 2-methoxybenzoate
CID 1234638
[3,5-bis[(2-methoxy-5-phenylbenzoyl)oxy]phenyl] 2-methoxy-5-phenylbenzoate
CID 20721751
naphthalen-2-yl 5-chloro-2-methoxybenzoate
CID 5036835
[5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate
CID 11841339
bis(bis[4-(4-naphthalen-2-ylphenyl)phenyl] carbonate);carbonic acid
CID 174756889
(4-phenylphenyl) 2-methoxy-4-methylsulfanylbenzoate
CID 7926510
(4-methoxyphenyl) 2-(difluoromethoxy)benzoate
CID 55341813
(4-butan-2-ylphenyl) 2-methoxybenzoate
CID 23011207
[2-(4-naphthalen-2-ylphenyl)phenyl] hydrogen carbonate
CID 66629221
2-(3,4-dimethoxyphenyl)naphthalene
CID 10890732
(2-methyl-1,3-benzoxazol-6-yl) 2-methoxybenzoate
CID 110494411
2-methoxy-5-naphthalen-2-ylphenol
CID 53220915

Frequently Asked Questions

What is the IUPAC name of (4-naphthalen-2-ylphenyl) 2-methoxybenzoate?
The IUPAC name of (4-naphthalen-2-ylphenyl) 2-methoxybenzoate (CID 158131394) is (4-naphthalen-2-ylphenyl) 2-methoxybenzoate.
What is the SMILES notation for (4-naphthalen-2-ylphenyl) 2-methoxybenzoate?
The canonical SMILES for (4-naphthalen-2-ylphenyl) 2-methoxybenzoate is COc1ccccc1C(=O)Oc1ccc(-c2ccc3ccccc3c2)cc1.
What is the InChIKey of (4-naphthalen-2-ylphenyl) 2-methoxybenzoate?
The InChIKey is AJZNQKXFJQYKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O3/c1-26-23-9-5-4-8-22(23)24(25)27-21-14-12-18(13-15-21)20-11-10-17-6-2-3-7-19(17)16-20/h2-16H,1H3.
What are the key properties of (4-naphthalen-2-ylphenyl) 2-methoxybenzoate?
(4-naphthalen-2-ylphenyl) 2-methoxybenzoate has a molecular weight of 354.41 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-naphthalen-2-ylphenyl) 2-methoxybenzoate is sourced from PubChem (CID 158131394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).