(4-propan-2-yloxycarbonylphenyl)methyl naphthalene-1-carboxylate

C22H20O4 — CID 925814

IUPAC(4-propan-2-yloxycarbonylphenyl)methyl naphthalene-1-carboxylate
SMILESCC(C)OC(=O)c1ccc(COC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H20O4/c1-15(2)26-21(23)18-12-10-16(11-13-18)14-25-22(24)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15H,14H2,1-2H3
InChIKeyKXHRRUWAIOXMIZ-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.76
Rot. Bonds5

About (4-propan-2-yloxycarbonylphenyl)methyl naphthalene-1-carboxylate

(4-propan-2-yloxycarbonylphenyl)methyl naphthalene-1-carboxylate (PubChem CID 925814) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (4-propan-2-yloxycarbonylphenyl)methyl naphthalene-1-carboxylate.

Molecular Properties

Compound Name(4-propan-2-yloxycarbonylphenyl)methyl naphthalene-1-carboxylate
PubChem CID925814
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name(4-propan-2-yloxycarbonylphenyl)methyl naphthalene-1-carboxylate
SMILESCC(C)OC(=O)c1ccc(COC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H20O4/c1-15(2)26-21(23)18-12-10-16(11-13-18)14-25-22(24)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15H,14H2,1-2H3
InChIKeyKXHRRUWAIOXMIZ-UHFFFAOYSA-N
XLogP4.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate
CID 925812
propan-2-yl 4-[(4-bromobenzoyl)oxymethyl]benzoate
CID 1305384
propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate
CID 2199290
propan-2-yl 4-(phenoxymethyl)benzoate
CID 55357147
1-hydroxyethyl naphthalene-1-carboxylate
CID 70181591
propan-2-yl 4-ethylbenzoate
CID 583760
(3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate
CID 7785264
propan-2-yl 4-(hydroxymethyl)benzoate
CID 78907782
propan-2-yl 4-(nitrooxymethyl)benzoate
CID 89112347
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 7488833
(4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 895058
butyl 2-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate
CID 155166491

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxycarbonylphenyl)methyl naphthalene-1-carboxylate?
The IUPAC name of (4-propan-2-yloxycarbonylphenyl)methyl naphthalene-1-carboxylate (CID 925814) is (4-propan-2-yloxycarbonylphenyl)methyl naphthalene-1-carboxylate.
What is the SMILES notation for (4-propan-2-yloxycarbonylphenyl)methyl naphthalene-1-carboxylate?
The canonical SMILES for (4-propan-2-yloxycarbonylphenyl)methyl naphthalene-1-carboxylate is CC(C)OC(=O)c1ccc(COC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of (4-propan-2-yloxycarbonylphenyl)methyl naphthalene-1-carboxylate?
The InChIKey is KXHRRUWAIOXMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-15(2)26-21(23)18-12-10-16(11-13-18)14-25-22(24)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15H,14H2,1-2H3.
What are the key properties of (4-propan-2-yloxycarbonylphenyl)methyl naphthalene-1-carboxylate?
(4-propan-2-yloxycarbonylphenyl)methyl naphthalene-1-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxycarbonylphenyl)methyl naphthalene-1-carboxylate is sourced from PubChem (CID 925814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).