(3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate

C16H18O5 — CID 19872769

IUPAC(3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate
SMILESCCCOc1c(OC)cc(OC(=O)OC)c2ccccc12
InChIInChI=1S/C16H18O5/c1-4-9-20-15-12-8-6-5-7-11(12)13(10-14(15)18-2)21-16(17)19-3/h5-8,10H,4,9H2,1-3H3
InChIKeyANFLCFXKQHKWPQ-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.78
Rot. Bonds5

About (3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate

(3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate (PubChem CID 19872769) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is (3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate.

Molecular Properties

Compound Name(3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate
PubChem CID19872769
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Name(3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate
SMILESCCCOc1c(OC)cc(OC(=O)OC)c2ccccc12
InChIInChI=1S/C16H18O5/c1-4-9-20-15-12-8-6-5-7-11(12)13(10-14(15)18-2)21-16(17)19-3/h5-8,10H,4,9H2,1-3H3
InChIKeyANFLCFXKQHKWPQ-UHFFFAOYSA-N
XLogP3.78
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.78
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

(4-hexoxy-3-methoxynaphthalen-1-yl) acetate
CID 19873098
(3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate
CID 22367386
[2-methoxy-4-(2-methylhexoxycarbonyloxy)naphthalen-1-yl] 2-methylhexyl carbonate
CID 19886888
(3-methoxy-4-nonanoyloxynaphthalen-1-yl) nonanoate
CID 153323087
(2-ethoxy-4-methoxynaphthalen-1-yl) N-methylcarbamate
CID 19872862
(8-methoxy-3,4-dipropoxynaphthalen-1-yl) N-methylcarbamate
CID 19872966
(3,4-diethoxy-7-phenylnaphthalen-1-yl) methyl carbonate
CID 19873102
[4-(hexylcarbamoyloxy)-3-propoxynaphthalen-1-yl] N-hexylcarbamate
CID 19886828
(2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate
CID 19873104
3-iodo-5-methoxy-N-(2-methoxyphenyl)-4-propoxybenzamide
CID 4541836
methyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate
CID 23167499
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate?
The IUPAC name of (3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate (CID 19872769) is (3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate.
What is the SMILES notation for (3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate?
The canonical SMILES for (3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate is CCCOc1c(OC)cc(OC(=O)OC)c2ccccc12.
What is the InChIKey of (3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate?
The InChIKey is ANFLCFXKQHKWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c1-4-9-20-15-12-8-6-5-7-11(12)13(10-14(15)18-2)21-16(17)19-3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of (3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate?
(3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate has a molecular weight of 290.32 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate is sourced from PubChem (CID 19872769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).