(6-methylnaphthalen-2-yl) propyl carbonate

C15H16O3 — CID 58232642

IUPAC(6-methylnaphthalen-2-yl) propyl carbonate
SMILESCCCOC(=O)Oc1ccc2cc(C)ccc2c1
InChIInChI=1S/C15H16O3/c1-3-8-17-15(16)18-14-7-6-12-9-11(2)4-5-13(12)10-14/h4-7,9-10H,3,8H2,1-2H3
InChIKeyQTZQEMZMUBCAMF-UHFFFAOYSA-N
MW244.29 g/mol
LogP4.07
Rot. Bonds3

About (6-methylnaphthalen-2-yl) propyl carbonate

(6-methylnaphthalen-2-yl) propyl carbonate (PubChem CID 58232642) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (6-methylnaphthalen-2-yl) propyl carbonate.

Molecular Properties

Compound Name(6-methylnaphthalen-2-yl) propyl carbonate
PubChem CID58232642
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(6-methylnaphthalen-2-yl) propyl carbonate
SMILESCCCOC(=O)Oc1ccc2cc(C)ccc2c1
InChIInChI=1S/C15H16O3/c1-3-8-17-15(16)18-14-7-6-12-9-11(2)4-5-13(12)10-14/h4-7,9-10H,3,8H2,1-2H3
InChIKeyQTZQEMZMUBCAMF-UHFFFAOYSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-methylnaphthalen-2-yl) propyl carbonate;propane
CID 123704980
(7-methylnaphthalen-2-yl) propanoate
CID 23046881
(6-methylnaphthalen-2-yl) 6-(4-prop-2-enoyloxybutoxycarbonyloxy)naphthalene-2-carboxylate
CID 123854949
2,3-dihydro-1H-benzotriazol-5-yl propyl carbonate
CID 121274700
(3-chlorophenyl) propyl carbonate
CID 91713194
[5-(6-butoxycarbonyloxy-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalen-2-yl] butyl carbonate
CID 118121817
2-butoxy-6-methylnaphthalene
CID 58718847
(4-methylphenyl) 2-sulfanylethyl carbonate
CID 166767633
2-chloroethyl (3-methylphenyl) carbonate
CID 91704252
(3,4-dimethylphenyl) ethyl carbonate
CID 19704470
4-hydroxybutyl (4-methylphenyl) carbonate
CID 126720991
(6-methylnaphthalen-2-yl) 2-iodoprop-2-enoate
CID 130383099

Frequently Asked Questions

What is the IUPAC name of (6-methylnaphthalen-2-yl) propyl carbonate?
The IUPAC name of (6-methylnaphthalen-2-yl) propyl carbonate (CID 58232642) is (6-methylnaphthalen-2-yl) propyl carbonate.
What is the SMILES notation for (6-methylnaphthalen-2-yl) propyl carbonate?
The canonical SMILES for (6-methylnaphthalen-2-yl) propyl carbonate is CCCOC(=O)Oc1ccc2cc(C)ccc2c1.
What is the InChIKey of (6-methylnaphthalen-2-yl) propyl carbonate?
The InChIKey is QTZQEMZMUBCAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-3-8-17-15(16)18-14-7-6-12-9-11(2)4-5-13(12)10-14/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of (6-methylnaphthalen-2-yl) propyl carbonate?
(6-methylnaphthalen-2-yl) propyl carbonate has a molecular weight of 244.29 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylnaphthalen-2-yl) propyl carbonate is sourced from PubChem (CID 58232642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).