(3,4-diethoxy-7-phenylnaphthalen-1-yl) methyl carbonate

C22H22O5 — CID 19873102

IUPAC(3,4-diethoxy-7-phenylnaphthalen-1-yl) methyl carbonate
SMILESCCOc1cc(OC(=O)OC)c2cc(-c3ccccc3)ccc2c1OCC
InChIInChI=1S/C22H22O5/c1-4-25-20-14-19(27-22(23)24-3)18-13-16(15-9-7-6-8-10-15)11-12-17(18)21(20)26-5-2/h6-14H,4-5H2,1-3H3
InChIKeyIIUZTGIKFNIULD-UHFFFAOYSA-N
MW366.41 g/mol
LogP5.45
Rot. Bonds6

About (3,4-diethoxy-7-phenylnaphthalen-1-yl) methyl carbonate

(3,4-diethoxy-7-phenylnaphthalen-1-yl) methyl carbonate (PubChem CID 19873102) has the molecular formula C22H22O5 and a molecular weight of 366.41 g/mol. Its IUPAC name is (3,4-diethoxy-7-phenylnaphthalen-1-yl) methyl carbonate.

Molecular Properties

Compound Name(3,4-diethoxy-7-phenylnaphthalen-1-yl) methyl carbonate
PubChem CID19873102
Molecular FormulaC22H22O5
Molecular Weight366.41 g/mol
Exact Mass366.15
IUPAC Name(3,4-diethoxy-7-phenylnaphthalen-1-yl) methyl carbonate
SMILESCCOc1cc(OC(=O)OC)c2cc(-c3ccccc3)ccc2c1OCC
InChIInChI=1S/C22H22O5/c1-4-25-20-14-19(27-22(23)24-3)18-13-16(15-9-7-6-8-10-15)11-12-17(18)21(20)26-5-2/h6-14H,4-5H2,1-3H3
InChIKeyIIUZTGIKFNIULD-UHFFFAOYSA-N
XLogP5.45
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.41
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,4-diethoxy-6-phenylnaphthalen-1-yl) N-methylcarbamate
CID 19873053
(3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate
CID 19872769
ethyl 2-ethoxy-4-phenylbenzoate
CID 22494159
(2-ethoxy-4-methoxynaphthalen-1-yl) N-methylcarbamate
CID 19872862
(4-acetyloxy-2,3-dimethoxy-6-phenylnaphthalen-1-yl) acetate
CID 23038229
3-(2-ethoxy-5-phenylphenyl)propanoic acid
CID 83969109
(2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate
CID 19179210
cyclohexyl (4-cyclohexyloxycarbonyloxy-2-ethoxynaphthalen-1-yl) carbonate
CID 19886916
1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867070
(2-ethoxy-5-phenylphenyl)thiourea
CID 169357905
N-[4-ethoxy-6-(4-fluorophenyl)quinolin-2-yl]acetamide
CID 110172120
[4-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate
CID 19886837

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxy-7-phenylnaphthalen-1-yl) methyl carbonate?
The IUPAC name of (3,4-diethoxy-7-phenylnaphthalen-1-yl) methyl carbonate (CID 19873102) is (3,4-diethoxy-7-phenylnaphthalen-1-yl) methyl carbonate.
What is the SMILES notation for (3,4-diethoxy-7-phenylnaphthalen-1-yl) methyl carbonate?
The canonical SMILES for (3,4-diethoxy-7-phenylnaphthalen-1-yl) methyl carbonate is CCOc1cc(OC(=O)OC)c2cc(-c3ccccc3)ccc2c1OCC.
What is the InChIKey of (3,4-diethoxy-7-phenylnaphthalen-1-yl) methyl carbonate?
The InChIKey is IIUZTGIKFNIULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O5/c1-4-25-20-14-19(27-22(23)24-3)18-13-16(15-9-7-6-8-10-15)11-12-17(18)21(20)26-5-2/h6-14H,4-5H2,1-3H3.
What are the key properties of (3,4-diethoxy-7-phenylnaphthalen-1-yl) methyl carbonate?
(3,4-diethoxy-7-phenylnaphthalen-1-yl) methyl carbonate has a molecular weight of 366.41 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxy-7-phenylnaphthalen-1-yl) methyl carbonate is sourced from PubChem (CID 19873102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).