naphthalen-1-yl 2-propan-2-yloxybenzoate

C20H18O3 — CID 23013102

IUPACnaphthalen-1-yl 2-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccccc1C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C20H18O3/c1-14(2)22-19-12-6-5-11-17(19)20(21)23-18-13-7-9-15-8-3-4-10-16(15)18/h3-14H,1-2H3
InChIKeyAGIBKBCFUWIPRQ-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.85
Rot. Bonds4

About naphthalen-1-yl 2-propan-2-yloxybenzoate

naphthalen-1-yl 2-propan-2-yloxybenzoate (PubChem CID 23013102) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is naphthalen-1-yl 2-propan-2-yloxybenzoate.

Molecular Properties

Compound Namenaphthalen-1-yl 2-propan-2-yloxybenzoate
PubChem CID23013102
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Namenaphthalen-1-yl 2-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccccc1C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C20H18O3/c1-14(2)22-19-12-6-5-11-17(19)20(21)23-18-13-7-9-15-8-3-4-10-16(15)18/h3-14H,1-2H3
InChIKeyAGIBKBCFUWIPRQ-UHFFFAOYSA-N
XLogP4.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.85
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

dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
naphthalen-1-yl 2-hydroxybenzoate
CID 504536
[5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate
CID 11841339
naphthalen-1-yl (2R)-2-aminopropanoate
CID 18639263
propyl 2-propan-2-yloxybenzoate
CID 82186328
dinaphthalen-1-yl 2-methylbenzene-1,4-dicarboxylate
CID 139985706
naphthalen-1-yl dibenzofuran-1-carboxylate
CID 134956412
2-(naphthalene-1-carbonyloxy)benzoic acid
CID 54147008
(2-phenylphenyl) naphthalene-1-carboxylate
CID 91722072
1-O-heptyl 2-O-naphthalen-1-yl benzene-1,2-dicarboxylate
CID 6423492
naphthalen-1-yl 2-ethoxypyridine-3-carboxylate
CID 7913806
2-propan-2-yloxybenzoyl chloride
CID 15921914

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl 2-propan-2-yloxybenzoate?
The IUPAC name of naphthalen-1-yl 2-propan-2-yloxybenzoate (CID 23013102) is naphthalen-1-yl 2-propan-2-yloxybenzoate.
What is the SMILES notation for naphthalen-1-yl 2-propan-2-yloxybenzoate?
The canonical SMILES for naphthalen-1-yl 2-propan-2-yloxybenzoate is CC(C)Oc1ccccc1C(=O)Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl 2-propan-2-yloxybenzoate?
The InChIKey is AGIBKBCFUWIPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-14(2)22-19-12-6-5-11-17(19)20(21)23-18-13-7-9-15-8-3-4-10-16(15)18/h3-14H,1-2H3.
What are the key properties of naphthalen-1-yl 2-propan-2-yloxybenzoate?
naphthalen-1-yl 2-propan-2-yloxybenzoate has a molecular weight of 306.36 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl 2-propan-2-yloxybenzoate is sourced from PubChem (CID 23013102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).